- InChI
- InChI=1S/C8H5Cl3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H
- InChI Key
- SVHAMPNLOLKSFU-UHFFFAOYSA-N
- Formula
- C8H5Cl3
- SMILES
- ClC(Cl)=C(Cl)c1ccccc1
- Molecular Weight1
- 207.49
- Other Names
-
- (trichlorovinyl)benzene
- styrene, «alpha»,«beta»,«beta»-trichloro-
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.3218 | Relay (1.0) Calculated Property | |
| ΔfG° | 156.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 98.78 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.44 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.029 | Crippen Calculated Property | |
| McVol | 132.240 | ml/mol | McGowan Calculated Property |
| Pc | 3443.98 | kPa | Joback Calculated Property |
| Tboil | 510.94 | K | Relay (1.0) Calculated Property |
| Tc | 746.22 | K | Relay (1.0) Calculated Property |
| Tfus | 277.72 | K | Relay (1.0) Calculated Property |
| Vc | 0.466 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [144.45; 307.22] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -1.31800e+01 | |||
| Coefficient B | 7.25100e-01 | |||
| Coefficient C | -5.92200e-04 | |||
| Coefficient D | 1.87500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 144.45 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 177.53 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 205.47 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 228.88 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 248.34 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 264.45 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 277.80 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 288.98 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 298.59 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 307.22 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,2,2-Trichloro-1-phenylethene.
Sources
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