- InChI
- InChI=1S/C12H13ClO3/c1-8-6-4-5-7-9(8)16-11(15)12(2,3)10(13)14/h4-7H,1-3H3
- InChI Key
- OPAZIZANYHYINM-UHFFFAOYSA-N
- Formula
- C12H13ClO3
- SMILES
- Cc1ccccc1OC(=O)C(C)(C)C(=O)Cl
- Molecular Weight1
- 240.68
- 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° | -218.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -447.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.23 | kJ/mol | Joback Calculated Property |
| log10WS | -3.20 | Crippen Calculated Property | |
| logPoct/wat | 2.692 | Crippen Calculated Property | |
| McVol | 177.430 | ml/mol | McGowan Calculated Property |
| Pc | 2595.13 | kPa | Joback Calculated Property |
| Inp | 1555.00 | NIST | |
| Tboil | 669.98 | K | Joback Calculated Property |
| Tc | 899.84 | K | Joback Calculated Property |
| Tfus | 418.37 | K | Joback Calculated Property |
| Vc | 0.667 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [439.88; 504.23] | J/mol×K | [669.98; 899.84] | 
|
| Cp,gas | 439.88 | J/mol×K | 669.98 | Joback Calculated Property |
| Cp,gas | 452.94 | J/mol×K | 708.29 | Joback Calculated Property |
| Cp,gas | 465.00 | J/mol×K | 746.60 | Joback Calculated Property |
| Cp,gas | 476.11 | J/mol×K | 784.91 | Joback Calculated Property |
| Cp,gas | 486.32 | J/mol×K | 823.22 | Joback Calculated Property |
| Cp,gas | 495.68 | J/mol×K | 861.53 | Joback Calculated Property |
| Cp,gas | 504.23 | J/mol×K | 899.84 | Joback Calculated Property |
| η | [0.0001511; 0.0013615] | Pa×s | [418.37; 669.98] |
|
| η | 0.0013615 | Pa×s | 418.37 | Joback Calculated Property |
| η | 0.0007988 | Pa×s | 460.31 | Joback Calculated Property |
| η | 0.0005123 | Pa×s | 502.24 | Joback Calculated Property |
| η | 0.0003518 | Pa×s | 544.17 | Joback Calculated Property |
| η | 0.0002550 | Pa×s | 586.11 | Joback Calculated Property |
| η | 0.0001929 | Pa×s | 628.05 | Joback Calculated Property |
| η | 0.0001511 | Pa×s | 669.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, monochloride, 2-methylphenyl ester.
Sources
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