Chemical Properties of Benzene, (trifluoromethyl)- (CAS 98-08-8)

Benzene, (trifluoromethyl)-

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InChI
InChI=1S/C7H5F3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H
InChI Key
GETTZEONDQJALK-UHFFFAOYSA-N
Formula
C7H5F3
SMILES
FC(F)(F)c1ccccc1
Molecular Weight1
146.11
CAS
98-08-8
Other Names
  • (Trifluoromethyl)benzene
  • Benzenyl fluoride
  • Benzotrifluoride
  • Benzylidyne fluoride
  • NSC 8038
  • Phenylfluoroform
  • Toluene, «alpha»,«alpha»,«alpha»-trifluoro-
  • Trifluoro(phenyl)methane
  • UN 2338
  • USAF MA-16
  • alpha,alpha,alpha-Trifluorotoluene
  • «alpha»,«alpha»,«alpha»-Trifluorotoluene
Sources

Physical Properties

Property Value Unit Source
Δcliquid -3369.30 ± 0.50 kJ/mol NIST
Δcliquid -3390.50 kJ/mol NIST
EA 0.00 eV NIST
Δf -461.12 kJ/mol Joback Calculated Property
Δfgas -581.03 kJ/mol NIST
Δfliquid -620.45 kJ/mol NIST
Δfus 9.75 kJ/mol Joback Calculated Property
Δvap 37.67 kJ/mol NIST
Δvap 37.10 kJ/mol NIST
Δvap 37.60 kJ/mol NIST
IE [9.68; 9.86] eV Show Hide
IE 9.69 ± 0.01 eV NIST
IE 9.70 eV NIST
IE 9.69 ± 0.03 eV NIST
IE 9.69 ± 0.00 eV NIST
IE 9.68 eV NIST
IE 9.68 ± 0.02 eV NIST
IE 9.69 ± 0.01 eV NIST
IE Outlier 9.86 eV NIST
logPoct/wat 2.71 Crippen Calculated Property
Pc 3564.27 kPa Joback Calculated Property
liquid 271.50 J/mol×K NIST
Tboil [374.50; 375.40] K Show Hide
Tboil 375.19 ± 0.20 K NIST
Tboil 375.20 K NIST
Tboil Outlier 374.50 ± 0.50 K NIST
Tboil 375.00 K NIST
Tboil 375.20 K NIST
Tboil 375.20 ± 0.40 K NIST
Tboil 375.40 ± 1.00 K NIST
Tc 559.90 K NIST
Tfus 244.00 ± 0.02 K NIST
Ttriple 244.14 ± 0.02 K NIST
Ttriple 244.14 ± 0.07 K NIST
Vc 0.36 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 164.39 J/mol×K 380.82 Joback Calculated Property
Cp,liquid 188.45 J/mol×K 298.15 NIST
ΔfusH 11.99 kJ/mol 242.0 NIST
ΔfusH 13.77 kJ/mol 244.0 NIST
ΔfusH 13.78 kJ/mol 244.14 NIST
ΔsubH 54.40 kJ/mol 227.5 NIST
ΔvapH [31.60; 39.10] kJ/mol [308.00; 500.00] Show Hide
Plot of Enthalpy of vaporization at a given temperature.
ΔvapH 39.10 kJ/mol 308.0 NIST
ΔvapH 38.50 kJ/mol 314.0 NIST
ΔvapH 35.40 ± 0.10 kJ/mol 334.0 NIST
ΔvapH 34.10 ± 0.10 kJ/mol 353.0 NIST
ΔvapH 35.90 kJ/mol 353.5 NIST
ΔvapH 35.60 kJ/mol 370.5 NIST
ΔvapH 35.70 kJ/mol 370.5 NIST
ΔvapH 32.60 ± 0.10 kJ/mol 375.0 NIST
ΔvapH 32.63 kJ/mol 375.2 NIST
ΔvapH 32.40 kJ/mol 495.0 NIST
ΔvapH 31.60 kJ/mol 500.0 NIST
ΔfusS 56.45 J/mol×K 244.14 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 1
-F 3
>C< 1
=CH- (ring) 5

Similar Compounds

1,4-Bis(trifluoromethyl)benzene. Benzene, 1-chloro-4-(trifluoromethyl)-. Benzenamine, 4-(trifluoromethyl)-. Benzene, 1,3-bis(trifluoromethyl)-. 1,3,5-Tris(trifluoromethyl)benzene. 4-Trifluoromethylbenzyl chloride. 4-(Trifluoromethyl)benzyl alcohol. Benzene, 1-bromo-4-(trifluoromethyl)-. Benzene, 1-iodo-4-(trifluoromethyl)-. 4-(Trifluoromethyl)thiophenol. Benzene, 1-fluoro-4-(trifluoromethyl)-. Alpha,alpha,alpha-trifluoro-p-cresol. p-CF3C6H4CHO. 4-Trifluoromethylbenzyl bromide. 4-Trifluoromethylbenzoic acid nitrile.

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