- InChI
- InChI=1S/C10H14O4/c1-4-14-10(13)9(12)6-8(11)5-7(2)3/h5H,4,6H2,1-3H3
- InChI Key
- JNJLOBHXZALHNZ-UHFFFAOYSA-N
- Formula
- C10H14O4
- SMILES
- CCOC(=O)C(=O)CC(=O)C=C(C)C
- Molecular Weight1
- 198.22
- CAS
- 92736-02-2
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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° | -386.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -612.26 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.54 | kJ/mol | Joback Calculated Property |
| log10WS | -1.28 | Crippen Calculated Property | |
| logPoct/wat | 1.044 | Crippen Calculated Property | |
| McVol | 158.040 | ml/mol | McGowan Calculated Property |
| Pc | 2632.55 | kPa | Joback Calculated Property |
| Tboil | 616.27 | K | Joback Calculated Property |
| Tc | 815.39 | K | Joback Calculated Property |
| Tfus | 355.44 | K | Joback Calculated Property |
| Vc | 0.613 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [387.66; 450.17] | J/mol×K | [616.27; 815.39] | 
|
| Cp,gas | 387.66 | J/mol×K | 616.27 | Joback Calculated Property |
| Cp,gas | 399.63 | J/mol×K | 649.46 | Joback Calculated Property |
| Cp,gas | 410.96 | J/mol×K | 682.64 | Joback Calculated Property |
| Cp,gas | 421.67 | J/mol×K | 715.83 | Joback Calculated Property |
| Cp,gas | 431.76 | J/mol×K | 749.02 | Joback Calculated Property |
| Cp,gas | 441.25 | J/mol×K | 782.20 | Joback Calculated Property |
| Cp,gas | 450.17 | J/mol×K | 815.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Methyl - 2,4-dioxo-5- heptenoic acid, ethyl ester.
Sources
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