- InChI
- InChI=1S/C7H3Cl5/c8-5-2-1-4(3-6(5)9)7(10,11)12/h1-3H
- InChI Key
- ATYLRBXENHNROH-UHFFFAOYSA-N
- Formula
- C7H3Cl5
- SMILES
- Clc1ccc(C(Cl)(Cl)Cl)cc1Cl
- Molecular Weight1
- 264.36
- CAS
- 13014-24-9
- Other Names
-
- Toluene, «alpha»,«alpha»,«alpha»,3,4-pentachloro-
- «alpha»,«alpha»,«alpha»,3,4-Pentachlorotoluene
- 1,2-Dichloro-4-trichloromethylbenzene
- 3,4-Dichlorobenzotrichloride
- 3,4-Dichlorophenyltrichloromethane
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (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 |
|---|---|---|---|
| ΔfG° | 44.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -61.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.41 | kJ/mol | Joback Calculated Property |
| log10WS | -4.84 | Crippen Calculated Property | |
| logPoct/wat | 4.820 | Crippen Calculated Property | |
| McVol | 146.930 | ml/mol | McGowan Calculated Property |
| Pc | 3246.73 | kPa | Joback Calculated Property |
| Inp | [1534.20; 1534.20] |
|
|
| Inp | 1534.20 | NIST | |
| Inp | 1534.20 | NIST | |
| Tboil | 556.30 | K | NIST |
| Tc | 840.49 | K | Joback Calculated Property |
| Tfus | 372.13 | K | Joback Calculated Property |
| Vc | 0.553 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [251.57; 286.15] | J/mol×K | [580.12; 840.49] |
|
| Cp,gas | 251.57 | J/mol×K | 580.12 | Joback Calculated Property |
| Cp,gas | 259.14 | J/mol×K | 623.52 | Joback Calculated Property |
| Cp,gas | 265.87 | J/mol×K | 666.91 | Joback Calculated Property |
| Cp,gas | 271.86 | J/mol×K | 710.31 | Joback Calculated Property |
| Cp,gas | 277.18 | J/mol×K | 753.70 | Joback Calculated Property |
| Cp,gas | 281.92 | J/mol×K | 797.10 | Joback Calculated Property |
| Cp,gas | 286.15 | J/mol×K | 840.49 | Joback Calculated Property |
| η | [0.0002450; 0.0016788] | Pa×s | [372.13; 580.12] |
|
| η | 0.0016788 | Pa×s | 372.13 | Joback Calculated Property |
| η | 0.0010625 | Pa×s | 406.80 | Joback Calculated Property |
| η | 0.0007226 | Pa×s | 441.46 | Joback Calculated Property |
| η | 0.0005198 | Pa×s | 476.12 | Joback Calculated Property |
| η | 0.0003910 | Pa×s | 510.79 | Joback Calculated Property |
| η | 0.0003049 | Pa×s | 545.45 | Joback Calculated Property |
| η | 0.0002450 | Pa×s | 580.12 | Joback Calculated Property |
| ΔvapH | 59.30 | kJ/mol | 550.50 | NIST |
Similar Compounds
Find more compounds similar to Benzene, 1,2-dichloro-4-(trichloromethyl)-.
Sources
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