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
  • CHLOROPERFLUOROBENZENE
  • Chloropentafluorobenzene
  • PENTAFLUOROPHENYL CHLORIDE
  • Pentafluorochlorobenzene
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Physical Properties

Property Value Unit Source
ω 0.4000 KDB
Δcliquid -2428.70 ± 2.00 kJ/mol NIST
EA [0.75; 0.82] eV Show
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 [40.80; 41.30] kJ/mol Show
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
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
log10WS -3.81 Crippen Calculated Property
logPoct/wat 3.035 Crippen Calculated Property
McVol 92.730 ml/mol McGowan Calculated Property
Pc [3190.00; 3238.00] kPa Show
Pc 3238.00 kPa KDB
Pc 3190.00 kPa NIST
ρc 538.88 ± 0.53 kg/m3 NIST
Inp 748.00 NIST
liquid [300.70; 303.59] J/mol×K Show
liquid 303.59 J/mol×K NIST
liquid 300.70 J/mol×K NIST
Tboil [390.00; 391.20] K Show
Tboil 391.11 K KDB
Tboil 390.00 K NIST
Tboil 391.20 K NIST
Tc [569.90; 571.00] K Show
Tc 570.81 K KDB
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; 257.49] K Show
Ttriple 257.29 ± 0.02 K NIST
Ttriple 257.49 ± 0.02 K NIST
Vc 0.376 m3/kmol KDB
Zc 0.2565290 KDB

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [171.33; 199.06] J/mol×K [422.04; 596.57] Show
T(K)
Ideal gas heat capacity (J/mol×K)
170
175
180
185
190
195
200
450
500
550
600
Cp,gas 171.33 J/mol×K 422.04 Joback Calculated Property
Cp,gas 176.39 J/mol×K 451.13 Joback Calculated Property
Cp,gas 181.27 J/mol×K 480.22 Joback Calculated Property
Cp,gas 185.98 J/mol×K 509.31 Joback Calculated Property
Cp,gas 190.52 J/mol×K 538.39 Joback Calculated Property
Cp,gas 194.88 J/mol×K 567.48 Joback Calculated Property
Cp,gas 199.06 J/mol×K 596.57 Joback Calculated Property
Cp,liquid [221.40; 223.17] J/mol×K [298.15; 298.15] Show
Cp,liquid 223.17 J/mol×K 298.15 NIST
Cp,liquid 221.40 J/mol×K 298.15 NIST
ΔfusH [0.98; 8.36] kJ/mol [191.00; 257.50] Show
ΔfusH 3.64 kJ/mol 191.00 NIST
ΔfusH 0.98 kJ/mol 245.00 NIST
ΔfusH 8.36 kJ/mol 257.50 NIST
ΔfusH 8.36 kJ/mol 257.50 NIST
ΔvapH [34.76; 40.00] kJ/mol [349.00; 475.00] Show
T(K)
Enthalpy of vaporization at a given temperature (kJ/mol)
35
36
37
38
39
40
350
400
450
ΔvapH 37.70 ± 0.10 kJ/mol 349.00 NIST
ΔvapH 40.00 kJ/mol 362.00 NIST
ΔvapH 36.40 ± 0.10 kJ/mol 369.00 NIST
ΔvapH 37.70 kJ/mol 375.00 NIST
ΔvapH 34.80 ± 0.10 kJ/mol 391.00 NIST
ΔvapH 34.76 ± 0.01 kJ/mol 391.10 NIST
ΔvapH 34.76 kJ/mol 391.20 NIST
ΔvapH 35.20 kJ/mol 475.00 NIST
ΔfusS [4.01; 32.45] J/mol×K [191.00; 257.50] Show
ΔfusS 19.04 J/mol×K 191.00 NIST
ΔfusS 4.01 J/mol×K 245.00 NIST
ΔfusS 32.45 J/mol×K 257.50 NIST

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 395.70 K 100.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [288.73; 416.53] The Yaw... Show
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.44250e+01
Coefficient B-3.27746e+03
Coefficient C-5.69020e+01
Temperature range, min.288.73
Temperature range, max.416.53
T(K)
Vapor pressure (kPa)
0
50
100
150
200
300
350
400
Pvap 1.33 kPa 288.73 Calculated Property
Pvap 3.01 kPa 302.93 Calculated Property
Pvap 6.24 kPa 317.13 Calculated Property
Pvap 11.97 kPa 331.33 Calculated Property
Pvap 21.53 kPa 345.53 Calculated Property
Pvap 36.68 kPa 359.73 Calculated Property
Pvap 59.56 kPa 373.93 Calculated Property
Pvap 92.77 kPa 388.13 Calculated Property
Pvap 139.33 kPa 402.33 Calculated Property
Pvap 202.66 kPa 416.53 Calculated Property
Pvap [4.07; 3010.89] kPa [308.15; 565.76] KDB Vap... Show
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A9.08383e+01
Coefficient B-7.91458e+03
Coefficient C-1.12535e+01
Coefficient D7.77116e-06
Temperature range, min.308.15
Temperature range, max.565.76
T(K)
Vapor pressure (kPa)
0
500
1000
1500
2000
2500
3000
400
500
Pvap 4.07 kPa 308.15 Calculated Property
Pvap 15.33 kPa 336.77 Calculated Property
Pvap 45.11 kPa 365.40 Calculated Property
Pvap 110.25 kPa 394.02 Calculated Property
Pvap 234.06 kPa 422.64 Calculated Property
Pvap 446.01 kPa 451.27 Calculated Property
Pvap 781.71 kPa 479.89 Calculated Property
Pvap 1283.97 kPa 508.51 Calculated Property
Pvap 2005.09 kPa 537.14 Calculated Property
Pvap 3010.89 kPa 565.76 Calculated Property

Similar Compounds

Benzene, 1,3-dichloro-2,4,5,6-tetrafluoro-. Benzene, 1,2-dichloro-3,4,5,6-tetrafluoro-. Benzene, 1,3,5-trichloro-2,4,6-trifluoro-. 1-Chloro-2,3,5,6-tetrafluorobenzene. Benzene, 1,2,3,5-tetrachloro-4,6-difluoro-. Benzene, hexafluoro-. Benzene, pentachlorofluoro-. 1,3-Dichloro-2,4,6-trifluorobenzene. Perfluoronaphthalene. Benzene, pentafluoroiodo-. Benzene, bromopentafluoro-. 1-Chloro-2,4-difluorobenzene. Benzene, 1,2-dibromo-3,4,5,6-tetrafluoro-. Benzene,1-chloro-3,5-difluoro-. 1-Chloro-2,5-difluorobenzene.

Find more compounds similar to Benzene, chloropentafluoro-.

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