- InChI
- InChI=1S/C13H16O4/c1-4-16-11(14)13(2,3)12(15)17-10-8-6-5-7-9-10/h5-9H,4H2,1-3H3
- InChI Key
- BAIWHDLHWMYSAJ-UHFFFAOYSA-N
- Formula
- C13H16O4
- SMILES
- CCOC(=O)C(C)(C)C(=O)Oc1ccccc1
- Molecular Weight1
- 236.26
- 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° | -294.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -573.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.82 | kJ/mol | Joback Calculated Property |
| log10WS | -2.50 | Crippen Calculated Property | |
| logPoct/wat | 2.181 | Crippen Calculated Property | |
| McVol | 185.150 | ml/mol | McGowan Calculated Property |
| Pc | 2441.06 | kPa | Joback Calculated Property |
| Inp | [1539.00; 1539.00] |
|
|
| Inp | 1539.00 | NIST | |
| Inp | 1539.00 | NIST | |
| Tboil | 672.87 | K | Joback Calculated Property |
| Tc | 891.86 | K | Joback Calculated Property |
| Tfus | 409.43 | K | Joback Calculated Property |
| Vc | 0.693 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [491.44; 564.05] | J/mol×K | [672.87; 891.86] |
|
| Cp,gas | 491.44 | J/mol×K | 672.87 | Joback Calculated Property |
| Cp,gas | 506.01 | J/mol×K | 709.37 | Joback Calculated Property |
| Cp,gas | 519.54 | J/mol×K | 745.87 | Joback Calculated Property |
| Cp,gas | 532.08 | J/mol×K | 782.37 | Joback Calculated Property |
| Cp,gas | 543.65 | J/mol×K | 818.86 | Joback Calculated Property |
| Cp,gas | 554.30 | J/mol×K | 855.36 | Joback Calculated Property |
| Cp,gas | 564.05 | J/mol×K | 891.86 | Joback Calculated Property |
| η | [0.0001146; 0.0013071] | Pa×s | [409.43; 672.87] |
|
| η | 0.0013071 | Pa×s | 409.43 | Joback Calculated Property |
| η | 0.0007159 | Pa×s | 453.34 | Joback Calculated Property |
| η | 0.0004361 | Pa×s | 497.24 | Joback Calculated Property |
| η | 0.0002879 | Pa×s | 541.15 | Joback Calculated Property |
| η | 0.0002023 | Pa×s | 585.06 | Joback Calculated Property |
| η | 0.0001493 | Pa×s | 628.96 | Joback Calculated Property |
| η | 0.0001146 | Pa×s | 672.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, ethyl phenyl ester.
Sources
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