- InChI
- InChI=1S/C9H9ClO2/c10-6-7-12-9(11)8-4-2-1-3-5-8/h1-5H,6-7H2
- InChI Key
- ANPPGQUFDXLAGY-UHFFFAOYSA-N
- Formula
- C9H9ClO2
- SMILES
- O=C(OCCCl)c1ccccc1
- Molecular Weight1
- 184.62
- CAS
- 939-55-9
- Other Names
-
- Benzoic acid 2-chloroethyl ester
- Ethanol, 2-chloro-, benzoate
- 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).
- 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.
- I : 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 |
|---|---|---|---|
| ΔfG° | -108.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -253.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.44 | kJ/mol | Joback Calculated Property |
| log10WS | -2.29 | Crippen Calculated Property | |
| logPoct/wat | 2.082 | Crippen Calculated Property | |
| McVol | 133.590 | ml/mol | McGowan Calculated Property |
| Pc | 3295.37 | kPa | Joback Calculated Property |
| Inp | [1366.00; 1396.00] |
|
|
| Inp | 1381.00 | NIST | |
| Inp | 1375.00 | NIST | |
| Inp | 1394.00 | NIST | |
| Inp | 1375.00 | NIST | |
| Inp | 1380.00 | NIST | |
| Inp | 1396.00 | NIST | |
| Inp | 1380.00 | NIST | |
| Inp | 1373.00 | NIST | |
| Inp | 1368.00 | NIST | |
| Inp | 1366.00 | NIST | |
| I | [2101.00; 2159.00] |
|
|
| I | 2137.00 | NIST | |
| I | 2137.00 | NIST | |
| I | 2159.00 | NIST | |
| I | 2101.00 | NIST | |
| I | 2137.00 | NIST | |
| Tboil | 545.72 | K | Joback Calculated Property |
| Tc | 766.71 | K | Joback Calculated Property |
| Tfus | 319.69 | K | Joback Calculated Property |
| Vc | 0.504 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [281.46; 341.89] | J/mol×K | [545.72; 766.71] |
|
| Cp,gas | 281.46 | J/mol×K | 545.72 | Joback Calculated Property |
| Cp,gas | 293.30 | J/mol×K | 582.55 | Joback Calculated Property |
| Cp,gas | 304.41 | J/mol×K | 619.38 | Joback Calculated Property |
| Cp,gas | 314.81 | J/mol×K | 656.22 | Joback Calculated Property |
| Cp,gas | 324.51 | J/mol×K | 693.05 | Joback Calculated Property |
| Cp,gas | 333.53 | J/mol×K | 729.88 | Joback Calculated Property |
| Cp,gas | 341.89 | J/mol×K | 766.71 | Joback Calculated Property |
| η | [0.0002345; 0.0022086] | Pa×s | [319.69; 545.72] |
|
| η | 0.0022086 | Pa×s | 319.69 | Joback Calculated Property |
| η | 0.0012481 | Pa×s | 357.36 | Joback Calculated Property |
| η | 0.0007864 | Pa×s | 395.03 | Joback Calculated Property |
| η | 0.0005370 | Pa×s | 432.71 | Joback Calculated Property |
| η | 0.0003898 | Pa×s | 470.38 | Joback Calculated Property |
| η | 0.0002967 | Pa×s | 508.05 | Joback Calculated Property |
| η | 0.0002345 | Pa×s | 545.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Chloroethyl benzoate.
Sources
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