- InChI
- InChI=1S/C9H9Cl/c1-7(2)8-3-5-9(10)6-4-8/h3-6H,1H2,2H3
- InChI Key
- WQDGTJOEMPEHHL-UHFFFAOYSA-N
- Formula
- C9H9Cl
- SMILES
- C=C(C)c1ccc(Cl)cc1
- Molecular Weight1
- 152.62
- CAS
- 1712-70-5
- Other Names
-
- 4-Chloro-«alpha»-methylstyrene
- p-Chloro-«alpha»-methylstyrene
- 4-ClC6H4C(CH3)=CH2
- 1-Chloro-4-isopropenylbenzene
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.3588 | Relay (... Calculated Property | |
| PAff | 854.30 | kJ/mol | NIST |
| BasG | 825.40 | kJ/mol | NIST |
| ΔfG° | 195.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 72.77 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 14.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.65 | kJ/mol | Relay (... Calculated Property |
| IE | 8.46 | eV | Relay (... Calculated Property |
| log10WS | -3.97 | Relay (... Calculated Property | |
| logPoct/wat | 3.373 | Crippen Calculated Property | |
| McVol | 121.850 | ml/mol | McGowan Calculated Property |
| Pc | 3243.03 | kPa | Joback Calculated Property |
| Inp | 1146.00 | NIST | |
| Tboil | 477.79 | K | Relay (... Calculated Property |
| Tc | 683.81 | K | Relay (... Calculated Property |
| Tfus | 297.44 | K | Relay (... Calculated Property |
| Vc | 0.443 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [225.88; 288.99] | J/mol×K | [470.97; 695.36] | 
|
| Cp,gas | 225.88 | J/mol×K | 470.97 | Joback Calculated Property |
| Cp,gas | 238.27 | J/mol×K | 508.37 | Joback Calculated Property |
| Cp,gas | 249.85 | J/mol×K | 545.77 | Joback Calculated Property |
| Cp,gas | 260.68 | J/mol×K | 583.16 | Joback Calculated Property |
| Cp,gas | 270.79 | J/mol×K | 620.56 | Joback Calculated Property |
| Cp,gas | 280.21 | J/mol×K | 657.96 | Joback Calculated Property |
| Cp,gas | 288.99 | J/mol×K | 695.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-chloro-4-(1-methylethenyl)-.
Sources
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