- 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
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- EA : Electron affinity (eV).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- ρc : Critical density (kg/m3).
- Inp : Non-polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- S°liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- Vc : Critical Volume (m3/kmol).
- Zc : Critical Compressibility.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.4000 | KDB | |
| ΔcH°liquid | -2428.70 ± 2.00 | kJ/mol | NIST |
| EA | [0.75; 0.82] | eV |
|
| EA | 0.75 ± 0.08 | eV | NIST |
| EA | 0.82 ± 0.11 | eV | NIST |
| ΔfG° | -922.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -809.60 ± 2.00 | kJ/mol | NIST |
| ΔfH°liquid | -850.40 ± 2.20 | kJ/mol | NIST |
| ΔfusH° | 22.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [40.80; 41.30] | kJ/mol |
|
| ΔvapH° | 41.10 | kJ/mol | NIST |
| ΔvapH° | 41.30 | kJ/mol | NIST |
| ΔvapH° | 40.80 ± 0.40 | kJ/mol | NIST |
| IE | [9.50; 10.40] | eV |
|
| 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 |
|
| Pc | 3238.00 | kPa | KDB |
| Pc | 3190.00 | kPa | NIST |
| ρc | 538.88 ± 0.53 | kg/m3 | NIST |
| Inp | 748.00 | NIST | |
| S°liquid | [300.70; 303.59] | J/mol×K |
|
| S°liquid | 303.59 | J/mol×K | NIST |
| S°liquid | 300.70 | J/mol×K | NIST |
| Tboil | [390.00; 391.20] | K |
|
| Tboil | 391.11 | K | KDB |
| Tboil | 390.00 | K | NIST |
| Tboil | 391.20 | K | NIST |
| Tc | [569.90; 571.00] | K |
|
| 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 |
|
| 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] |
|
| 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] |
|
| 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] |
|
| 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] |
|
| 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] |
|
| 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...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.44250e+01 | |||
| Coefficient B | -3.27746e+03 | |||
| Coefficient C | -5.69020e+01 | |||
| Temperature range, min. | 288.73 | |||
| Temperature range, max. | 416.53 | |||
| 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...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 9.08383e+01 | |||
| Coefficient B | -7.91458e+03 | |||
| Coefficient C | -1.12535e+01 | |||
| Coefficient D | 7.77116e-06 | |||
| Temperature range, min. | 308.15 | |||
| Temperature range, max. | 565.76 | |||
| 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
Find more compounds similar to Benzene, chloropentafluoro-.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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