- InChI
- InChI=1S/C9H9Cl/c10-8-4-7-9-5-2-1-3-6-9/h1-6,8H,7H2/b8-4+
- InChI Key
- JJTUJRVKTPSEFZ-XBXARRHUSA-N
- Formula
- C9H9Cl
- SMILES
- ClC=CCc1ccccc1
- Molecular Weight1
- 152.62
- CAS
- 6268-37-7
- Other Names
-
- Benzene, (3-chloro-2-propenyl)-
- ω : Acentric Factor.
- 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).
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.3098 | Relay (1.0) Calculated Property | |
| ΔfG° | 205.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 114.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.59 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.982 | Crippen Calculated Property | |
| McVol | 121.850 | ml/mol | McGowan Calculated Property |
| Pc | 3318.18 | kPa | Joback Calculated Property |
| Tboil | [481.65; 486.20] | K |
|
| Tboil | 486.20 | K | NIST |
| Tboil | 481.65 ± 2.00 | K | NIST |
| Tc | 690.40 | K | Relay (1.0) Calculated Property |
| Tfus | 229.54 | K | Relay (1.0) Calculated Property |
| Vc | 0.429 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [225.60; 290.16] | J/mol×K | [473.59; 698.08] |
|
| Cp,gas | 225.60 | J/mol×K | 473.59 | Joback Calculated Property |
| Cp,gas | 238.47 | J/mol×K | 511.00 | Joback Calculated Property |
| Cp,gas | 250.43 | J/mol×K | 548.42 | Joback Calculated Property |
| Cp,gas | 261.52 | J/mol×K | 585.83 | Joback Calculated Property |
| Cp,gas | 271.80 | J/mol×K | 623.25 | Joback Calculated Property |
| Cp,gas | 281.33 | J/mol×K | 660.66 | Joback Calculated Property |
| Cp,gas | 290.16 | J/mol×K | 698.08 | Joback Calculated Property |
| η | [0.0002156; 0.0031929] | Pa×s | [242.45; 473.59] |
|
| η | 0.0031929 | Pa×s | 242.45 | Joback Calculated Property |
| η | 0.0014975 | Pa×s | 280.97 | Joback Calculated Property |
| η | 0.0008430 | Pa×s | 319.50 | Joback Calculated Property |
| η | 0.0005371 | Pa×s | 358.02 | Joback Calculated Property |
| η | 0.0003735 | Pa×s | 396.54 | Joback Calculated Property |
| η | 0.0002770 | Pa×s | 435.07 | Joback Calculated Property |
| η | 0.0002156 | Pa×s | 473.59 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 370.20 | K | 2.40 | NIST |
Similar Compounds
Find more compounds similar to Benzene, (3-chloroallyl)-.
Sources
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