1,4-Benzenedicarbonitrile, 2,3,5,6-tetrafluoro-

Other names: 1,4-Dicyano-2,3,5,6-tetrafluorobenzene;

1,4-Dicyanotetrafluorobenzene;
2,3,5,6-Tetrafluoro-1,4-benzenedicarbonitrile;
2,3,5,6-Tetrafluoroterephthalonitrile; Diamond 2031; Terephthalonitrile,
tetrafluoro-; Tetrafluoroterephthalonitrile.
InChI: InChI=1S/C8F4N2/c9-5-3(1-13)6(10)8(12)4(2-14)7(5)11
InChI Key: PCRSJGWFEMHHEW-UHFFFAOYSA-N
Formula: C8F4N2
SMILES: N#Cc1c(F)c(F)c(C#N)c(F)c1F
Molecular Weight: 200.09
CAS: 1835-49-0

Physical Properties

Property Value Unit Source

EA 1.89 ± 0.10 eV NIST Webbook

∆fG° -432.14 kJ/mol Joback Method

∆fH°gas -483.95 kJ/mol Joback Method

∆fusH° 23.90 kJ/mol Joback Method

∆vapH° 56.68 kJ/mol Joback Method

IE 10.65 eV NIST Webbook

logPoct/wat 1.99 Crippen Method

Pc 2603.08 kPa Joback Method

Tboil 635.26 K Joback Method

Tc 843.92 K Joback Method

Tfus 401.28 K Joback Method

Vc 0.50 m3/kg-mol Joback Method

Temperature Dependent Properties

Property Value Unit Temperature (K) Source

Cp,gas 238.69 J/mol×K 635.26 Joback Method

Sources

Joback Method: https://en.wikipedia.org/wiki/Joback_method

NIST Webbook: http://webbook.nist.gov/cgi/inchi/InChI=1S/C8F4N2/c9-5-3(1-13)6(10)8(12)4(2-14)7(5)11
Crippen Method: http://pubs.acs.org/doi/abs/10.1021/ci990307l

Legend

Cp,gas: Ideal gas heat capacity (J/mol×K).

EA: Electron affinity (eV).
∆fG°: Standard Gibbs free energy of formation (kJ/mol).
∆fH°gas: Enthalpy of formation at standard conditions (kJ/mol).
∆fusH°: Enthalpy of fusion at standard conditions (kJ/mol).
∆vapH°: Enthalpy of vaporization at standard conditions (kJ/mol).
IE: Ionization energy (eV).
logPoct/wat: Octanol/Water partition coefficient .
Pc: Critical Pressure (kPa).
Tboil: Normal Boiling Point Temperature (K).
Tc: Critical Temperature (K).
Tfus: Normal melting (fusion) point (K).
Vc: Critical Volume (m3/kg-mol).

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