Chemical Properties of Benzene, chloropentafluoro- (CAS 344-07-0)

Benzene, chloropentafluoro-

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InChI
InChI=1S/C6ClF5/c7-1-2(8)4(10)6(12)5(11)3(1)9
InChI Key
KGCDGLXSBHJAHZ-UHFFFAOYSA-N
Formula
C6ClF5
SMILES
Fc1c(F)c(F)c(Cl)c(F)c1F
Molecular Weight1
202.51
CAS
344-07-0
Other Names
  • Chloropentafluorobenzene
  • Chloroperfluorobenzene
  • Pentafluorochlorobenzene
  • Pentafluorophenyl chloride
Sources

Physical Properties

Property Value Unit Source
Δcliquid -2428.70 ± 2.00 kJ/mol NIST
EA 0.75 ± 0.08 eV NIST
EA 0.82 ± 0.11 eV NIST
Δf -922.08 kJ/mol Joback Calculated Property
Δfgas -809.60 ± 2.00 kJ/mol NIST
Δfliquid -850.40 ± 2.20 kJ/mol NIST
Δfus 22.99 kJ/mol Joback Calculated Property
Δvap 41.10 kJ/mol NIST
Δvap 41.30 kJ/mol NIST
Δvap 40.80 ± 0.40 kJ/mol NIST
IE [9.50; 10.40] eV Show Hide
IE 9.72 ± 0.14 eV NIST
IE 9.72 ± 0.02 eV NIST
IE 10.40 ± 0.10 eV NIST
IE 9.50 eV NIST
IE 9.94 eV NIST
logPoct/wat 3.04 Crippen Calculated Property
Pc 3190.00 kPa NIST
liquid 303.59 J/mol×K NIST
liquid 300.70 J/mol×K NIST
Tboil 390.00 K NIST
Tboil 391.20 K NIST
Tboil 395.70 K NIST
Tc 571.00 K NIST
Tc 569.90 K NIST
Tc 570.81 ± 0.05 K NIST
Tfus 279.27 K Joback Calculated Property
Ttriple 257.29 ± 0.02 K NIST
Ttriple 257.49 ± 0.02 K NIST
Vc 0.40 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 171.33 J/mol×K 422.04 Joback Calculated Property
Cp,liquid 223.17 J/mol×K 298.15 NIST
Cp,liquid 221.40 J/mol×K 298.15 NIST
ΔfusH 3.64 kJ/mol 191.0 NIST
ΔfusH 0.98 kJ/mol 245.0 NIST
ΔfusH 8.36 kJ/mol 257.5 NIST
ΔvapH [34.76; 40.00] kJ/mol [349.00; 475.00] Show Hide
Plot of Enthalpy of vaporization at a given temperature.
ΔvapH 37.70 ± 0.10 kJ/mol 349.0 NIST
ΔvapH 40.00 kJ/mol 362.0 NIST
ΔvapH 36.40 ± 0.10 kJ/mol 369.0 NIST
ΔvapH 37.70 kJ/mol 375.0 NIST
ΔvapH 34.80 ± 0.10 kJ/mol 391.0 NIST
ΔvapH 34.76 ± 0.01 kJ/mol 391.1 NIST
ΔvapH 34.76 kJ/mol 391.2 NIST
ΔvapH 35.20 kJ/mol 475.0 NIST
ΔfusS 19.04 J/mol×K 191.0 NIST
ΔfusS 4.01 J/mol×K 245.0 NIST
ΔfusS 32.45 J/mol×K 257.5 NIST

Molecular Descriptors

Joback and Reid Groups
-F 5
=C< (ring) 6
-Cl 1

Similar Compounds

1-Chloro-2,3,5,6-tetrafluorobenzene. Benzene, 1,3-dichloro-2,4,5,6-tetrafluoro-. Benzene, 1,2-dichloro-3,4,5,6-tetrafluoro-. 1-Chloro-2,4-difluorobenzene. 1-Chloro-2,5-difluorobenzene. 1,3-Dichloro-2,4,6-trifluorobenzene. Benzene, 1,3,5-trichloro-2,4,6-trifluoro-. Benzene,1-chloro-3,5-difluoro-. Benzene, 1,2,3,5-tetrachloro-4,6-difluoro-. Benzene, 1-chloro-2-fluoro-. Benzene, 1,2-dichloro-3-fluoro-. 1,3-Dichloro-4-fluorobenzene. Benzene, pentafluoro-. Benzene, hexafluoro-. Benzene, 1,2,3,4-tetrafluoro-.

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