- InChI
- InChI=1S/C8H9Cl/c1-7(9)8-5-3-2-4-6-8/h2-7H,1H3
- InChI Key
- GTLWADFFABIGAE-UHFFFAOYSA-N
- Formula
- C8H9Cl
- SMILES
- CC(Cl)c1ccccc1
- Molecular Weight1
- 140.61
- CAS
- 672-65-1
- Other Names
-
- (1-Chloroethyl)benzene
- («alpha»-Chloroethyl)benzene
- («alpha»-Chloroethyl)benzene
- 1-Chloro-1-phenylethane
- 1-Phenyl-1-chloroethane
- 1-Phenylethyl chloride
- «alpha»-Methylbenzyl chloride
- «alpha»-Phenethyl chloride
- «alpha»-Phenylethyl chloride
- «alpha»-Methylbenzyl chloride
- «alpha»-Phenethyl chloride
- «alpha»-Phenylethyl chloride
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- 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 |
|---|---|---|---|
| ΔcH°liquid | -4399.77 | kJ/mol | NIST |
| ΔfG° | 114.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 7.06 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | -58.24 | kJ/mol | NIST |
| ΔfusH° | 11.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [52.40; 52.80] | kJ/mol |
|
| ΔvapH° | 52.80 ± 0.20 | kJ/mol | NIST |
| ΔvapH° | 52.40 | kJ/mol | NIST |
| log10WS | -2.89 | Crippen Calculated Property | |
| logPoct/wat | 2.986 | Crippen Calculated Property | |
| McVol | 112.060 | ml/mol | McGowan Calculated Property |
| Pc | 3526.27 | kPa | Joback Calculated Property |
| Inp | [1039.00; 1060.00] |
|
|
| Inp | 1039.00 | NIST | |
| Inp | 1060.00 | NIST | |
| Inp | 1044.00 | NIST | |
| Inp | 1051.00 | NIST | |
| Inp | 1060.00 | NIST | |
| Inp | 1051.00 | NIST | |
| Tboil | 446.11 | K | Joback Calculated Property |
| Tc | 668.17 | K | Joback Calculated Property |
| Tfus | 221.26 | K | Joback Calculated Property |
| Vc | 0.418 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [201.83; 266.11] | J/mol×K | [446.11; 668.17] |
|
| Cp,gas | 201.83 | J/mol×K | 446.11 | Joback Calculated Property |
| Cp,gas | 214.45 | J/mol×K | 483.12 | Joback Calculated Property |
| Cp,gas | 226.25 | J/mol×K | 520.13 | Joback Calculated Property |
| Cp,gas | 237.29 | J/mol×K | 557.14 | Joback Calculated Property |
| Cp,gas | 247.59 | J/mol×K | 594.15 | Joback Calculated Property |
| Cp,gas | 257.18 | J/mol×K | 631.16 | Joback Calculated Property |
| Cp,gas | 266.11 | J/mol×K | 668.17 | Joback Calculated Property |
| η | [0.0002556; 0.0050108] | Pa×s | [221.26; 446.11] |
|
| η | 0.0050108 | Pa×s | 221.26 | Joback Calculated Property |
| η | 0.0021308 | Pa×s | 258.74 | Joback Calculated Property |
| η | 0.0011250 | Pa×s | 296.21 | Joback Calculated Property |
| η | 0.0006856 | Pa×s | 333.69 | Joback Calculated Property |
| η | 0.0004617 | Pa×s | 371.16 | Joback Calculated Property |
| η | 0.0003344 | Pa×s | 408.63 | Joback Calculated Property |
| η | 0.0002556 | Pa×s | 446.11 | Joback Calculated Property |
| ΔvapH | [47.00; 51.40] | kJ/mol | [354.00; 360.00] |
|
| ΔvapH | 51.40 | kJ/mol | 354.00 | NIST |
| ΔvapH | 47.00 | kJ/mol | 360.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 361.50 ± 0.50 | K | 4.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [340.36; 492.32] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.42544e+01 | |||
| Coefficient B | -3.77816e+03 | |||
| Coefficient C | -6.98500e+01 | |||
| Temperature range, min. | 340.36 | |||
| Temperature range, max. | 492.32 | |||
| Pvap | 1.33 | kPa | 340.36 | Calculated Property |
| Pvap | 3.03 | kPa | 357.24 | Calculated Property |
| Pvap | 6.28 | kPa | 374.13 | Calculated Property |
| Pvap | 12.07 | kPa | 391.01 | Calculated Property |
| Pvap | 21.71 | kPa | 407.90 | Calculated Property |
| Pvap | 36.95 | kPa | 424.78 | Calculated Property |
| Pvap | 59.92 | kPa | 441.67 | Calculated Property |
| Pvap | 93.17 | kPa | 458.55 | Calculated Property |
| Pvap | 139.64 | kPa | 475.44 | Calculated Property |
| Pvap | 202.63 | kPa | 492.32 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, (1-chloroethyl)-.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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