- 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).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 28.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.58 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.044 | Crippen Calculated Property | |
| McVol | 158.040 | ml/mol | McGowan Calculated Property |
| Pc | 2525.19 | kPa | Joback Calculated Property |
| Tboil | 512.68 | K | Relay (1.0) Calculated Property |
| Tc | 708.88 | K | Relay (1.0) Calculated Property |
| Tfus | 313.32 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [384.14; 447.52] | J/mol×K | [598.40; 795.28] | 
|
| Cp,gas | 384.14 | J/mol×K | 598.40 | Joback Calculated Property |
| Cp,gas | 396.37 | J/mol×K | 631.21 | Joback Calculated Property |
| Cp,gas | 407.90 | J/mol×K | 664.03 | Joback Calculated Property |
| Cp,gas | 418.77 | J/mol×K | 696.84 | Joback Calculated Property |
| Cp,gas | 428.98 | J/mol×K | 729.65 | Joback Calculated Property |
| Cp,gas | 438.56 | J/mol×K | 762.46 | Joback Calculated Property |
| Cp,gas | 447.52 | J/mol×K | 795.28 | 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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