- InChI
- InChI=1S/C10H14O6/c1-6(9(12)15-3)7(10(13)16-4)5-8(11)14-2/h5H2,1-4H3/b7-6+
- InChI Key
- ACFSFUFJFGNCSK-VOTSOKGWSA-N
- Formula
- C10H14O6
- SMILES
- COC(=O)CC(C(=O)OC)=C(C)C(=O)OC
- Molecular Weight1
- 230.21
- 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).
- 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° | -605.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -886.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.44 | kJ/mol | Joback Calculated Property |
| log10WS | -0.45 | Crippen Calculated Property | |
| logPoct/wat | 0.212 | Crippen Calculated Property | |
| McVol | 169.780 | ml/mol | McGowan Calculated Property |
| Pc | 2555.92 | kPa | Joback Calculated Property |
| Inp | 1428.00 | NIST | |
| Tboil | 660.99 | K | Joback Calculated Property |
| Tc | 859.91 | K | Joback Calculated Property |
| Tfus | 385.94 | K | Joback Calculated Property |
| Vc | 0.649 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [436.21; 497.70] | J/mol×K | [660.99; 859.91] | 
|
| Cp,gas | 436.21 | J/mol×K | 660.99 | Joback Calculated Property |
| Cp,gas | 448.06 | J/mol×K | 694.14 | Joback Calculated Property |
| Cp,gas | 459.28 | J/mol×K | 727.30 | Joback Calculated Property |
| Cp,gas | 469.87 | J/mol×K | 760.45 | Joback Calculated Property |
| Cp,gas | 479.80 | J/mol×K | 793.61 | Joback Calculated Property |
| Cp,gas | 489.08 | J/mol×K | 826.76 | Joback Calculated Property |
| Cp,gas | 497.70 | J/mol×K | 859.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Methylaconitic acid, trimethyl ester.
Sources
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