- InChI
- InChI=1S/C10H11ClO2/c1-7(2)13-10(12)8-5-3-4-6-9(8)11/h3-7H,1-2H3
- InChI Key
- ZQVYNQNVFVRHMT-UHFFFAOYSA-N
- Formula
- C10H11ClO2
- SMILES
- CC(C)OC(=O)c1ccccc1Cl
- Molecular Weight1
- 198.65
- CAS
- 942-14-3
- Other Names
-
- Benzoic acid, 2-chloro, 1-methylethyl ester
- 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° | -112.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -290.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.95 | kJ/mol | Joback Calculated Property |
| log10WS | -3.35 | Crippen Calculated Property | |
| logPoct/wat | 2.905 | Crippen Calculated Property | |
| McVol | 147.680 | ml/mol | McGowan Calculated Property |
| Pc | 2937.70 | kPa | Joback Calculated Property |
| Inp | [1345.00; 1378.00] |
|
|
| Inp | 1354.00 | NIST | |
| Inp | 1361.00 | NIST | |
| Inp | 1378.00 | NIST | |
| Inp | 1358.00 | NIST | |
| Inp | 1345.00 | NIST | |
| Inp | 1352.00 | NIST | |
| I | [1936.00; 1976.00] |
|
|
| I | 1940.00 | NIST | |
| I | 1954.00 | NIST | |
| I | 1975.00 | NIST | |
| I | 1976.00 | NIST | |
| I | 1936.00 | NIST | |
| I | 1955.00 | NIST | |
| Tboil | 573.14 | K | Joback Calculated Property |
| Tc | 796.07 | K | Joback Calculated Property |
| Tfus | 328.48 | K | Joback Calculated Property |
| Vc | 0.554 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [326.36; 391.97] | J/mol×K | [573.14; 796.07] |
|
| Cp,gas | 326.36 | J/mol×K | 573.14 | Joback Calculated Property |
| Cp,gas | 339.19 | J/mol×K | 610.30 | Joback Calculated Property |
| Cp,gas | 351.23 | J/mol×K | 647.45 | Joback Calculated Property |
| Cp,gas | 362.51 | J/mol×K | 684.61 | Joback Calculated Property |
| Cp,gas | 373.05 | J/mol×K | 721.76 | Joback Calculated Property |
| Cp,gas | 382.87 | J/mol×K | 758.92 | Joback Calculated Property |
| Cp,gas | 391.97 | J/mol×K | 796.07 | Joback Calculated Property |
| η | [0.0001966; 0.0020698] | Pa×s | [328.48; 573.14] |
|
| η | 0.0020698 | Pa×s | 328.48 | Joback Calculated Property |
| η | 0.0011257 | Pa×s | 369.26 | Joback Calculated Property |
| η | 0.0006911 | Pa×s | 410.03 | Joback Calculated Property |
| η | 0.0004634 | Pa×s | 450.81 | Joback Calculated Property |
| η | 0.0003321 | Pa×s | 491.59 | Joback Calculated Property |
| η | 0.0002504 | Pa×s | 532.36 | Joback Calculated Property |
| η | 0.0001966 | Pa×s | 573.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Chlorobenzoic acid, isopropyl ester.
Sources
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