Chemical Properties of Benzene, pentafluoronitro- (CAS 880-78-4)

Benzene, pentafluoronitro-

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InChI
InChI=1S/C6F5NO2/c7-1-2(8)4(10)6(12(13)14)5(11)3(1)9
InChI Key
INUOFQAJCYUOJR-UHFFFAOYSA-N
Formula
C6F5NO2
SMILES
O=[N+]([O-])c1c(F)c(F)c(F)c(F)c1F
Molecular Weight1
213.06
CAS
880-78-4
Other Names
  • Nitropentafluorobenzene
  • Pentafluoronitrobenzene
  • 1,2,3,4,5-Pentafluoro-6-nitrobenzene
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Physical Properties

Property Value Unit Source
EA [1.45; 1.50] eV Show Hide
EA 1.45 ± 0.11 eV NIST
EA 1.50 ± 0.25 eV NIST
Δf -874.60 kJ/mol Joback Calculated Property
Δfgas -979.30 kJ/mol Joback Calculated Property
Δfus 30.15 kJ/mol Joback Calculated Property
Δvap 47.04 kJ/mol Joback Calculated Property
IE 10.66 eV NIST
log10WS -3.78 Crippen Calculated Property
logPoct/wat 2.290 Crippen Calculated Property
McVol 97.910 ml/mol McGowan Calculated Property
Pc 3261.58 kPa Joback Calculated Property
liquid 323.13 J/mol×K NIST
Tboil 432.70 K NIST
Tc 736.58 K Joback Calculated Property
Tfus 392.96 K Joback Calculated Property
Ttriple 250.50 ± 0.20 K NIST
Vc 0.435 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [217.45; 250.35] J/mol×K [536.45; 736.58] Show Hide
Cp,gas 217.45 J/mol×K 536.45 Joback Calculated Property
Cp,gas 223.73 J/mol×K 569.80 Joback Calculated Property
Cp,gas 229.68 J/mol×K 603.16 Joback Calculated Property
Cp,gas 235.32 J/mol×K 636.51 Joback Calculated Property
Cp,gas 240.64 J/mol×K 669.87 Joback Calculated Property
Cp,gas 245.65 J/mol×K 703.22 Joback Calculated Property
Cp,gas 250.35 J/mol×K 736.58 Joback Calculated Property
Cp,liquid 272.96 J/mol×K 298.15 NIST
ΔfusH [11.81; 11.81] kJ/mol [250.50; 250.50] Show Hide
ΔfusH 11.81 kJ/mol 250.50 NIST
ΔfusH 11.81 kJ/mol 250.50 NIST
ΔfusH 11.81 kJ/mol 250.50 NIST
ΔfusS 47.13 J/mol×K 250.50 NIST

Similar Compounds

2,3,4,6-Tetrafluoronitrobenzene. Benzene, 1,2,4-trifluoro-5-nitro-. Pentafluorophenyl isothiocyanate. 2,5-Difluoronitrobenzene. Diazene, bis(pentafluorophenyl)-. 2,4-Difluoronitrobenzene. 2,3,4,6-Tetrafluorophenyl isothiocyanate. Benzene, 1,5-difluoro-2,4-dinitro-. 3,4-Difluoronitrobenzene. Benzenamine, 2,3,4,5,6-pentafluoro-. 4-Bromo-2,5-difluoronitrobenzene. Benzenamine, 2,3,4,5,6-pentafluoro-N,N-dimethyl-. Benzenamine, 2,3,4,6-tetrafluoro-. 2,3,5,6-Tetrafluorophenyl isothiocyanate. Benzenamine, 2,3,4,5,6-pentafluoro-N-(pentafluorophenyl)-.

Find more compounds similar to Benzene, pentafluoronitro-.

Sources

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