- InChI
- InChI=1S/C6HCl5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H
- InChI Key
- CEOCDNVZRAIOQZ-UHFFFAOYSA-N
- Formula
- C6HCl5
- SMILES
- Clc1cc(Cl)c(Cl)c(Cl)c1Cl
- Molecular Weight1
- 250.34
- CAS
- 608-93-5
- Other Names
-
- 1,2,3,4,5-Pentachlorobenzene
- PCP
- Pentachlorobenzene
- QCB
- Rcra waste number U183
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- EA : Electron affinity (eV).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : 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).
- ΔsubH° : Enthalpy of sublimation at standard conditions (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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- ΔfusS : Entropy of fusion at a given temperature (J/mol×K).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°solid | -2502.10 ± 0.80 | kJ/mol | NIST |
| EA | 0.73 ± 0.09 | eV | NIST |
| ΔfG° | 13.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -40.00 ± 8.70 | kJ/mol | NIST |
| ΔfusH° | 24.77 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 87.10 ± 0.40 | kJ/mol | NIST |
| ΔvapH° | 67.70 | kJ/mol | NIST |
| IE | [8.80; 9.21] | eV |
|
| IE | 8.80 | eV | NIST |
| IE | 9.21 ± 0.03 | eV | NIST |
| IE | 9.11 | eV | NIST |
| log10WS | [-5.65; -5.65] |
|
|
| log10WS | -5.65 | Aq. Sol... | |
| log10WS | -5.65 | Estimat... | |
| logPoct/wat | 4.954 | Crippen Calculated Property | |
| McVol | 132.840 | ml/mol | McGowan Calculated Property |
| Pc | 3427.87 | kPa | Joback Calculated Property |
| Inp | [254.80; 1546.00] |
|
|
| Inp | 1527.40 | NIST | |
| Inp | 1514.40 | NIST | |
| Inp | 1514.40 | NIST | |
| Inp | 1523.20 | NIST | |
| Inp | 1505.24 | NIST | |
| Inp | 1466.57 | NIST | |
| Inp | 1484.65 | NIST | |
| Inp | 1496.00 | NIST | |
| Inp | 1525.00 | NIST | |
| Inp | 1496.00 | NIST | |
| Inp | 1505.00 | NIST | |
| Inp | 1525.00 | NIST | |
| Inp | 1487.83 | NIST | |
| Inp | 1502.28 | NIST | |
| Inp | 1510.54 | NIST | |
| Inp | 1504.00 | NIST | |
| Inp | 1492.00 | NIST | |
| Inp | 1496.00 | NIST | |
| Inp | 1483.00 | NIST | |
| Inp | 1509.00 | NIST | |
| Inp | 1478.00 | NIST | |
| Inp | 1496.00 | NIST | |
| Inp | 1546.00 | NIST | |
| Inp | 1501.00 | NIST | |
| Inp | 1504.00 | NIST | |
| Inp | Outlier 262.00 | NIST | |
| Inp | Outlier 260.10 | NIST | |
| Inp | Outlier 260.09 | NIST | |
| Inp | Outlier 255.63 | NIST | |
| Inp | Outlier 254.80 | NIST | |
| Inp | 1527.40 | NIST | |
| Inp | 1466.57 | NIST | |
| Inp | 1505.00 | NIST | |
| Inp | 1509.00 | NIST | |
| Inp | Outlier 262.00 | NIST | |
| I | [1998.10; 2061.39] |
|
|
| I | 1998.10 | NIST | |
| I | 2026.20 | NIST | |
| I | 2059.80 | NIST | |
| I | 1999.00 | NIST | |
| I | 2027.00 | NIST | |
| I | 2061.39 | NIST | |
| I | 2037.50 | NIST | |
| I | 2056.73 | NIST | |
| I | 2028.86 | NIST | |
| Tboil | 550.20 | K | NIST |
| Tc | 821.83 | K | Joback Calculated Property |
| Tfus | 357.70 ± 0.20 | K | NIST |
| Ttriple | 357.00 ± 0.03 | K | NIST |
| Vc | 0.508 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [202.34; 228.29] | J/mol×K | [570.43; 821.83] |
|
| Cp,gas | 202.34 | J/mol×K | 570.43 | Joback Calculated Property |
| Cp,gas | 207.59 | J/mol×K | 612.33 | Joback Calculated Property |
| Cp,gas | 212.45 | J/mol×K | 654.23 | Joback Calculated Property |
| Cp,gas | 216.94 | J/mol×K | 696.13 | Joback Calculated Property |
| Cp,gas | 221.06 | J/mol×K | 738.03 | Joback Calculated Property |
| Cp,gas | 224.84 | J/mol×K | 779.93 | Joback Calculated Property |
| Cp,gas | 228.29 | J/mol×K | 821.83 | Joback Calculated Property |
| η | [0.0002871; 0.0010893] | Pa×s | [383.48; 570.43] |
|
| η | 0.0010893 | Pa×s | 383.48 | Joback Calculated Property |
| η | 0.0008024 | Pa×s | 414.64 | Joback Calculated Property |
| η | 0.0006168 | Pa×s | 445.80 | Joback Calculated Property |
| η | 0.0004907 | Pa×s | 476.96 | Joback Calculated Property |
| η | 0.0004015 | Pa×s | 508.11 | Joback Calculated Property |
| η | 0.0003362 | Pa×s | 539.27 | Joback Calculated Property |
| η | 0.0002871 | Pa×s | 570.43 | Joback Calculated Property |
| ΔfusH | [20.10; 20.60] | kJ/mol | [357.00; 357.70] |
|
| ΔfusH | 20.10 | kJ/mol | 357.00 | NIST |
| ΔfusH | 20.60 | kJ/mol | 357.70 | NIST |
| ΔfusH | 20.60 | kJ/mol | 357.70 | NIST |
| ΔvapH | [62.10; 66.00] | kJ/mol | [357.00; 460.00] |
|
| ΔvapH | 66.00 | kJ/mol | 357.00 | NIST |
| ΔvapH | 62.10 | kJ/mol | 460.00 | NIST |
| ΔfusS | 56.30 | J/mol×K | 357.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [417.16; 583.37] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.43191e+01 | |||
| Coefficient B | -4.18161e+03 | |||
| Coefficient C | -1.19138e+02 | |||
| Temperature range, min. | 417.16 | |||
| Temperature range, max. | 583.37 | |||
| Pvap | 1.33 | kPa | 417.16 | Calculated Property |
| Pvap | 3.02 | kPa | 435.63 | Calculated Property |
| Pvap | 6.27 | kPa | 454.10 | Calculated Property |
| Pvap | 12.03 | kPa | 472.56 | Calculated Property |
| Pvap | 21.65 | kPa | 491.03 | Calculated Property |
| Pvap | 36.85 | kPa | 509.50 | Calculated Property |
| Pvap | 59.79 | kPa | 527.97 | Calculated Property |
| Pvap | 93.02 | kPa | 546.43 | Calculated Property |
| Pvap | 139.53 | kPa | 564.90 | Calculated Property |
| Pvap | 202.65 | kPa | 583.37 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, pentachloro-.
Mixtures
Sources
- Crippen Method
- Determination of Henry's Law Constant Using Diffusion in Air and Water Boundary Layers
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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