- InChI
- InChI=1S/C11H13ClO2/c1-7-4-8(2)6-10(5-7)14-11(13)9(3)12/h4-6,9H,1-3H3
- InChI Key
- SJELLOBJQJSXPZ-UHFFFAOYSA-N
- Formula
- C11H13ClO2
- SMILES
- Cc1cc(C)cc(OC(=O)C(C)Cl)c1
- Molecular Weight1
- 212.67
- 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.
- 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° | -113.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -322.60 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.83 | kJ/mol | Joback Calculated Property |
| log10WS | -3.42 | Crippen Calculated Property | |
| logPoct/wat | 2.836 | Crippen Calculated Property | |
| McVol | 161.770 | ml/mol | McGowan Calculated Property |
| Pc | 2613.74 | kPa | Joback Calculated Property |
| Inp | [1471.00; 1471.00] |
|
|
| Inp | 1471.00 | NIST | |
| Inp | 1471.00 | NIST | |
| Tboil | 601.00 | K | Joback Calculated Property |
| Tc | 820.90 | K | Joback Calculated Property |
| Tfus | 352.27 | K | Joback Calculated Property |
| Vc | 0.611 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [372.53; 441.54] | J/mol×K | [601.00; 820.90] |
|
| Cp,gas | 372.53 | J/mol×K | 601.00 | Joback Calculated Property |
| Cp,gas | 385.94 | J/mol×K | 637.65 | Joback Calculated Property |
| Cp,gas | 398.56 | J/mol×K | 674.30 | Joback Calculated Property |
| Cp,gas | 410.42 | J/mol×K | 710.95 | Joback Calculated Property |
| Cp,gas | 421.53 | J/mol×K | 747.60 | Joback Calculated Property |
| Cp,gas | 431.90 | J/mol×K | 784.25 | Joback Calculated Property |
| Cp,gas | 441.54 | J/mol×K | 820.90 | Joback Calculated Property |
| η | [0.0001757; 0.0015527] | Pa×s | [352.27; 601.00] |
|
| η | 0.0015527 | Pa×s | 352.27 | Joback Calculated Property |
| η | 0.0008920 | Pa×s | 393.72 | Joback Calculated Property |
| η | 0.0005695 | Pa×s | 435.18 | Joback Calculated Property |
| η | 0.0003931 | Pa×s | 476.63 | Joback Calculated Property |
| η | 0.0002880 | Pa×s | 518.09 | Joback Calculated Property |
| η | 0.0002209 | Pa×s | 559.55 | Joback Calculated Property |
| η | 0.0001757 | Pa×s | 601.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Chloropropionic acid, 3,5-dimethylphenyl ester.
Sources
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