- InChI
- InChI=1S/C12H12O4/c1-3-16-12(15)10-6-4-9(5-7-10)11(14)8(2)13/h4-7H,3H2,1-2H3
- InChI Key
- PRHHJSMYEAHZFY-UHFFFAOYSA-N
- Formula
- C12H12O4
- SMILES
- CCOC(=O)c1ccc(C(=O)C(C)=O)cc1
- Molecular Weight1
- 220.22
- 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° | -338.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -535.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.89 | kJ/mol | Joback Calculated Property |
| log10WS | -2.49 | Crippen Calculated Property | |
| logPoct/wat | 1.635 | Crippen Calculated Property | |
| McVol | 166.760 | ml/mol | McGowan Calculated Property |
| Pc | 2823.32 | kPa | Joback Calculated Property |
| Inp | [1620.00; 1620.00] |
|
|
| Inp | 1620.00 | NIST | |
| Inp | 1620.00 | NIST | |
| Tboil | 689.65 | K | Joback Calculated Property |
| Tc | 910.24 | K | Joback Calculated Property |
| Tfus | 435.96 | K | Joback Calculated Property |
| Vc | 0.635 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [425.69; 486.07] | J/mol×K | [689.65; 910.24] |
|
| Cp,gas | 425.69 | J/mol×K | 689.65 | Joback Calculated Property |
| Cp,gas | 437.84 | J/mol×K | 726.41 | Joback Calculated Property |
| Cp,gas | 449.14 | J/mol×K | 763.18 | Joback Calculated Property |
| Cp,gas | 459.59 | J/mol×K | 799.94 | Joback Calculated Property |
| Cp,gas | 469.22 | J/mol×K | 836.71 | Joback Calculated Property |
| Cp,gas | 478.04 | J/mol×K | 873.47 | Joback Calculated Property |
| Cp,gas | 486.07 | J/mol×K | 910.24 | Joback Calculated Property |
| η | [0.0001928; 0.0013238] | Pa×s | [435.96; 689.65] |
|
| η | 0.0013238 | Pa×s | 435.96 | Joback Calculated Property |
| η | 0.0008332 | Pa×s | 478.24 | Joback Calculated Property |
| η | 0.0005654 | Pa×s | 520.52 | Joback Calculated Property |
| η | 0.0004066 | Pa×s | 562.81 | Joback Calculated Property |
| η | 0.0003063 | Pa×s | 605.09 | Joback Calculated Property |
| η | 0.0002394 | Pa×s | 647.37 | Joback Calculated Property |
| η | 0.0001928 | Pa×s | 689.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-(2-Oxo-propionyl)-benzoic acid ethyl ester.
Sources
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