- InChI
- InChI=1S/C8H7Cl/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H2
- InChI Key
- XHAFIUUYXQFJEW-UHFFFAOYSA-N
- Formula
- C8H7Cl
- SMILES
- C=C(Cl)c1ccccc1
- Molecular Weight1
- 138.59
- CAS
- 618-34-8
- Other Names
-
- 1-Chloro-1-phenylethene
- 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 | 0.3149 | Relay (1.0) Calculated Property | |
| ΔfG° | 196.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 108.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.896 | Crippen Calculated Property | |
| McVol | 107.760 | ml/mol | McGowan Calculated Property |
| Pc | 3695.46 | kPa | Joback Calculated Property |
| Tboil | 450.94 | K | Relay (1.0) Calculated Property |
| Tc | 684.04 | K | Relay (1.0) Calculated Property |
| Tfus | 325.00 ± 5.00 | K | NIST |
| Vc | 0.390 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [121.68; 293.02] | 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 | -2.80800e+01 | |||
| Coefficient B | 6.71600e-01 | |||
| Coefficient C | -4.88200e-04 | |||
| Coefficient D | 1.37700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 121.68 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 154.51 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 182.88 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 207.21 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 227.96 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 245.54 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 260.41 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 272.98 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 283.71 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 293.02 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, (1-chloroethenyl)-.
Sources
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