Petroleum Science and Technology

ISSN: 1091-6466 (Print) 1532-2459 (Online) Journal homepage: http://www.tandfonline.com/loi/lpet20

Predicting the Specific Gravity and the Cetane

Number of Diesel Fuel

C. De la Paz , J. E. Rodríguez , C. P. Valentín & E. R. Ramos

To cite this article: C. De la Paz , J. E. Rodríguez , C. P. Valentín & E. R. Ramos (2007)

Predicting the Specific Gravity and the Cetane Number of Diesel Fuel, Petroleum Science and
Technology, 25:10, 1225-1234, DOI: 10.1080/10916460500423312

To link to this article: https://doi.org/10.1080/10916460500423312

Published online: 24 Oct 2007.

Submit your article to this journal

Article views: 108

Citing articles: 1 View citing articles

Full Terms & Conditions of access and use can be found at

http://www.tandfonline.com/action/journalInformation?journalCode=lpet20
Petroleum Science and Technology, 25:1225–1234, 2007
Copyright © Taylor & Francis Group, LLC
ISSN: 1091-6466 print/1532-2459 online
DOI: 10.1080/10916460500423312

Predicting the Specific Gravity and the Cetane

Number of Diesel Fuel

C. De La Paz, J. E. Rodríguez, C. P. Valentín,

and E. R. Ramos
Instituto Mexicano del Petróleo, México D.F., México

Abstract: This article explains the prediction of specific gravity and cetane num-
ber for Mexican hydrotreated diesel fuels. Here, correlations for these predictable
properties are proposed.
The basis of the developed correlations for specific gravity was a series of samples
taken from the Central Laboratory of the Instituto Mexicano del Petróleo. These
correlations were later proven with information from some refineries in Mexico (Salina
Cruz, Salamanca, and Cadereyta). The correlations depend only on one parameter, the
50% fuel distillation temperature.
Twenty-nine equations were proven to assess the cetane number. The information
given by the Central Laboratory of the Instituto Mexicano del Petróleo was helpful
in developing new parameter correlations in order to assess the cetane number. The
cetane number equations with the available information were applied. According to
the results, the best equations were chosen, and then optimized here; the best equations
are presented.

Keywords: cetane number, diesel fuel, specific gravity

INTRODUCTION

Defining the diesel fuel physical properties is very important; however it is

not an easy task and getting these properties from experimental activities
would take time and money.
The aim of this study consists in developing correlations or relations of
variables through which it is possible to determine the physical properties of
the fuel with the support of some available information from refineries.
This study emphasizes correlations in predicting the specific gravity and
the cetane number. To achieve this, previous studies were researched to find

Address correspondence to Claudia De la Paz, Instituto Mexicano del Petróleo,

Eje Central Lazaro Cardenas # 152, Col. San Bartolo Atepehuacan, Mexico D.F., C.P.
07730. E-mail: cdelapaz@imp.mx

1225
1226 C. De La Paz et al.

existing correlations. One of the most important things was to analyze the
kind of diesel fuels in which the correlations were applied, to see the accuracy
to real values, because these properties vary according to the origin of the
fuel.
The usable correlations were proven and even optimized. In the case
of the cetane number and the specific gravity, it has been necessary to cre-
ate empirical equations, because the existing correlations did not predict the
specific gravity as expected.

METHODOLOGY

Specific Gravity

The aim of this article is to present a study about the prediction of the
specific gravity and the cetane number of the Mexican hydrotreated diesel
fuels coming from the primary distillation. The purpose is to know as exactly
as possible this property through a correlation, depending on properties easily
available, like the ASTM curve.
To obtain such correlation, previous equations were researched in exist-
ing literature. As soon as the equations were selected (Caswell et al., 1989;
Cookson et al., 1988; Riazi and Daubert, 1980, 1987; Riazi and Taher, 1996;
Daubert, 1980, 1998), the necessary variables to calculate the specific gravity
were identified. Some information was not available; many of the parameters
were not usually obtained because of the complexity and the expensive costs.
Therefore, the application of some correlations was not appropriate to the
work purposes (Caswell et al., 1989; Cookson et al., 1988).
The correlation proposed for the specific gravity prediction is (Riazi and
Taher, 1996):

SG D 1:07 exp.3:56073 2:93886  M 0:1 / (1)

If the molecular weight (M ) is not available, the next correlation might

be used (Riazi et al., 1999):

M D Œ355:395 50:9165  ln.1080 T 50/1:5 : (2)

Unfortunately, these correlations (Riazi and Taher, 1996) did not predict the
specific gravity as expected; the deviation percentages were around 5% to
10%, and in some cases larger deviations. This property is very sensitive to
changes, and also affected other properties, such as cetane number, aniline
point, and API gravity. This is because these properties are based on equations
that involve specific gravity and 50% fuel distillation temperature (T 50), so
that a small change in specific gravity means a considerable change in these
properties.
Predicting Specific Gravity 1227

The next step was to create empirical equations with the available data.
Prior to this step, it was necessary to first find a correlation for T 50, because
the data coming from the refinery’s report lacked this parameter and as was
previously mentioned, many parameters depend on this.
It was decided to create mathematical models with the support of the
available data. The created correlation depends on temperature.
After some trials the required equation was obtained, the result was as
simple as an average relation between 10 and 90% fuel distillation tempera-
tures:
T 10 C T 90
T 50 D (3)
2
This correlation was checked with the available information. It was ob-
served that the value predicted with the equation was close to the real value;
in general the deviation was at a maximum 2%.

Specific Gravity Prediction

The correlation chosen to predict the specific gravity (SG 60/60) is an expo-
nential equation, which depends only on the 50% fuel distillation temperature
(obtained from the ASTM curve).
This equation was applied to a series of samples coming from various
refineries in Mexico. The samples coming from these refineries did not have
the complete ASTM curve; it was only available with the subsequent data:
IBP, T 10, T 90, and EBP. For this case, it was necessary to use the T 50
correlation.
The results obtained in the assessment of the specific gravity of the hy-
drotreated products were good; the deviation of the samples was less than 1%.
This correlation was also proven for charges (diesel fuels before hy-
drotreating), where the correlation also works, but there was a group of sam-
ples that presented bigger deviations than 1%, and other samples with lower
deviations. A small amount of samples also presented deviations above 2%.
This is because the conditions of this sample were out of the limits.
On the other hand, it was observed that the correlation has the following
limitations:

 Application interval: 0.79  SG  0.862

 For specific gravities above or under these values, the correlations produce
mistakes around 3% (if SG is above 0.862) and even 8% (if SG is under
0.79).

Conversion from PE 20/4 to SG 60/60

The available information in the refineries was the specific weight 20/4. The
correlation presented in this article provides the specific gravity 60/60 as
1228 C. De La Paz et al.

Figure 1. Specific gravity prediction.

a result. For this reason, it was necessary to use the following conversions:

PE.60=60/ D 0:008376970677 C 0:993450534  PE.20=4/ (4)

SG.60=60/ D PE.60=60/  water .60ı F/ (5)

where
water@60ı F D 0:9991266 g/cm3 : (6)

Mathematic Expression of the Specific Gravity Correlation

The following equation:

SG.60=60/ D 0:40155778367258  .T 50/0:13101000154515 (7)

is not based on any other previous equation; this is the result of a mathematical
correlation created with the support of available information. It is expected
that the correlation predicts better in the hydrotreated products because it
was created with information coming from them. The correlation prediction
is shown on Figure 1.

Cetane Number

Empirical equations for predicting the cetane number are often called cetane
indices. These correlations usually need the fuel physical properties to express
the cetane number.
Predicting Specific Gravity 1229

The literature presents some correlations to predict the cetane number

(Pande and Hardy, 1989, 1990; Ladommatos and Goacher, 1995; Collins and
Unzelman, 1982; ASTM, 2004; Cookson et al., 1988). These correlations are
based on several parameters, so it was necessary to identify which parameters
could be available according to the existing information. Correlations for
aniline point and API gravity were created.
It was observed that the tendency of all the properties was linear. By a
linear regression a correlation was obtained on two variables:

 For aniline point:

AP D 585:787 C 0:300319  .T 50  1:8 C 32/ 695:124  SG (8)

 For API gravity:

ı
API D 196:3636364  SG C 202:122727273: (9)

The correlations were proven, the accuracy of these was very good, the de-
viation percentages were low, and the maximum value was 5%.
The application of the correlations has the following limitations; T 50
Interval: 232ıC–343ıC (450ıF–650ıF); specific gravity interval: 0:8  SG 
0:86.
With all the requirements accomplished, the cetane number was assessed
for 125 samples, this information came from various Mexican refineries.
It was observed during the assessments that the API gravity had a sig-
nificant percentage deviation—around 1.5%. It was decided to make a new
analysis of the other correlations that had been previously dismissed. Finally
it was concluded that the linear equation was not the best option, so an expo-
nential equation was chosen; with this correlation, the percentage deviation
was less than 1%.
The new equation for API gravity is:
ı 4:80266419
API D 15:82659943  SG : (10)

A comparison was made with the assessed cetane number, getting a per-
centage deviation for each prediction. The statistics chose the equations that
made better predictions. The criterion was a maximum limit of 5% deviation.
For each equation the number of times that correctly predicted the cetane
number was counted. According to the results, there were six equations that
gave positive results:

1. Ladommatos et al. (1995):

CI D 59:6921 C 0:218  AP C 0:0033  AP2

8:6002  KC C 0:4417  KC 2 (11)

1230 C. De La Paz et al.

where
.T 10 C T 50 C T 90 C 820/
KC D : (12)
200D 2
2. Ladommatos et al. (1995):

CI D 17:8445 C 0:1934  AP C 0:004  AP2 : (13)

3. Ladommatos et al. (1995):

CI D 88:1302 C 0:2706  AP C 0:00273  AP2

14:6937  KC C 0:7538  KC 2 : (14)

4. Collins et al. (1982):

 
AP  1:8 C 32
CI D 18:196 1:254 
100
 2
AP  1:8 C 32
C 14:34  : (15)
100

5. ASTM D4737-04 (2004):

CI D 45:2 C 0:0892  .T 10N / C .0:131 C 0:901  B/  .T 50N /

C .0:0523 0:420  B/  .T 90N / C 0:00049

 Œ.T 10N /2 .T 90N /2  C 107  B C 60  B 2 (16)

where

T 10N D T 10 215 (17)

T 50N D T 50 260 (18)

T 90N D T 90 310 (19)

DN D D 0:85 (20)

B D e. 3:5DN /
1 (21)

6. Collins et al. (1982):

1:26887 
.T 50  1:8 C 32/ 1:4427
 
API
CI D 0:9187   : (22)
10 100
Predicting Specific Gravity 1231

Table 1. Conditions where the cetane number

prediction apply

T 10, ı C T 90, ı C

Minimum value 165 228

Maximum value 287 376

In a trial for improving the obtained results with the six equations, it was
decided to make a parametric adjustment. With the optimized equations the
following method was applied:

 The cetane number was assessed with each optimized equation.

 The deviation percentage was obtained. A cetane difference was also cal-
culated.
CN data CI calc
%Dev D  100
CN data

Difference D jCN data CI calcj

 With regard to the deviation percentage, the six equations showed sig-
nificant deviations in the same samples (it is supposed because some of
the origin data were erroneous), and statistically the optimized equation 1
(ASTM, 2004) gave the best predictions, with deviation percentages less
than 5%.
 Total differences of the cetane number obtained by each equation show
that the lowest one matches with Eq. (16).

According to the results obtained, Eq. (16) optimized (ASTM, 2004) is

the equation that best predicts the cetane number. Therefore, it is concluded
that this equation is the best option.
The prediction was assessed under the conditions shown in Table 1.

Optimized Equations

CI D 44:7753417382439 C 0:615521895678825  T 10N

C .. 0:584718675421607/ C . 8:60218237468317/  B/  T 50N

C .0:253480805193152 C 7:60787362641633  B/  T 90N

C . 0:00125361241323326/  .T 10N 2 T 90N 2 /

C 107:368341716199  B C 59:9477971999501  B 2 : (23)

1232 C. De La Paz et al.

Figure 2. Cetane number prediction with some of the selected equations.

As in the original equation, the variables involved change also, and DN was
defined as a specific gravity function:

DN D SG 0:850655039441035 (24)

B D e. 3:5DN /
1 (25)

T 10N D T 10 217:733802342925 (26)

T 50N D T 50 259:985940272867 (27)

T 90N D T 90 306:449019419504: (28)

It is considered that in this interval of temperatures the correlation gives

reliable predictions. Figure 2 shows the deviation presented with the equations
analyzed before the optimization. As can be seen, there are deviations near
10% and greater. Finally, Figure 3 shows the tendency of the optimized
equation reported, so that the conclusions noted earlier are confirmed.

CONCLUSIONS

The equations presented provide a relatively simple method for the prediction
of specific gravity and cetane number of hydrotreated diesel fuels, using two
readily available physical properties. Several equations were tested and a
considerable amount of plant data have been used in the tests, optimization,
and development of the correlations presented.
The results obtained in the assessment of the specific gravity of the hy-
drotreated products were good; the deviation in the samples was less than 1%.
Predicting Specific Gravity 1233

Figure 3. Cetane number prediction with the optimized equation.

This correlation was also proven for charges (diesel fuels before hy-
drotreating). Here there was a group of samples that presented deviations
larger than 1%, and a minor number of samples presented deviations above
2%. This is because the conditions of these samples were outside the limits.
The equations considered estimate the cetane number with considerable
accuracy (deviations less than 5% with only very few samples between 5
and 10%). The advantage of the correlation presented in this work is that it
is easy to use and depends only on three temperature points of the ASTM
distillation curve and the specific gravity.

REFERENCES

American Society for Testing and Materials (ASTM). (2004). Annual Book of
ASTM Standards (2004). D4737.04. Standard test method for calculated
cetane index by four variable equations. Part 05.02.
Caswell, K. A., Glass, T. E., Swann, M., and Dorn, H. C. (1989). Rapid pre-
diction of various physical properties for middle distillate fuels utilizing
directly coupled liquid chromotography/H nuclear magnetic resonance.
Anal. Chem. 61:206–211.
Collins, J. M., and Unzelman, G. H. (1982). Better cetane prediction equations
developed. Oil & Gas Journal, June 7:148–160.
Cookson, D. J., Lloyd, C. P., and Smith, B. E. (1988). Investigation of the
chemical basis of diesel fuel properties. Energy & Fuels 2:854–860.
1234 C. De La Paz et al.

Daubert, T. E. (1980). Property predictions. Hydrocarbon Proc., March:107–

112.
Daubert, T. E. (1998). Evaluated equation forms for correlating thermody-
namic and transport properties with temperature. Ind. Eng. Chem. Res.
37:3260–3267.
Ladommatos, N., and Goacher, J. (1995). Equations for predicting the cetane
number of diesel fuels from their physical properties. Fuel 74:1083–1093.
Pande, S. G., and Hardy, D. R. (1989). Cetane number predictions of a trial
index based on compositional analysis. Energy & Fuels 3:308–312.
Pande, S. G., and Hardy, D. R. (1990). A practical evaluation of published
cetanes indices. Fuel 69:437–442.
Riazi, M. R., and Daubert, T. E. (1980). Simplify property predictions. Hy-
drocarbon Processing, March:115, 116.
Riazi, M. R., and Daubert, T. E. (1987). Characterization parameters for
petroleum fractions. Ind. Eng. Chem. Res. 26:755–759.
Riazi, M. R., and Taher, A. A. (1996). Physical properties of heavy petroleum
fractions and crude oils. Fluid Phase Equilibria 117:217–224.
Riazi, M. R., Nasimi, N., and Roomi, Y. A. (1999). Estimation of sulfur
content of petroleum products and crude oils. Ind. Eng. Chem. Res. 38:
4507–4512.

NOMENCLATURE

AP aniline point [ı C]
API API gravity [ıAPI]
CI cetane index (predicted cetane number)
CN cetane number
D density at 15ıC (kgl 1 )
EBP end boiling point
IBP initial boiling point
M molecular weight
PE specific weight
SG specific gravity 60/60
Tn temperature at which n% distills [ı C]