- InChI
- InChI=1S/C9H12O6/c1-13-7(10)5-4-6(8(11)14-2)9(12)15-3/h4H,5H2,1-3H3
- InChI Key
- GNFDSUXUHQEDHK-UHFFFAOYSA-N
- Formula
- C9H12O6
- SMILES
- COC(=O)CC=C(C(=O)OC)C(=O)OC
- Molecular Weight1
- 216.19
- 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° | -605.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -856.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.13 | kJ/mol | Joback Calculated Property |
| log10WS | -0.03 | Crippen Calculated Property | |
| logPoct/wat | -0.178 | Crippen Calculated Property | |
| McVol | 155.690 | ml/mol | McGowan Calculated Property |
| Pc | 2808.38 | kPa | Joback Calculated Property |
| Inp | 1395.00 | NIST | |
| Tboil | 638.23 | K | Joback Calculated Property |
| Tc | 836.65 | K | Joback Calculated Property |
| Tfus | 388.63 | K | Joback Calculated Property |
| Vc | 0.593 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [387.26; 444.57] | J/mol×K | [638.23; 836.65] | 
|
| Cp,gas | 387.26 | J/mol×K | 638.23 | Joback Calculated Property |
| Cp,gas | 398.25 | J/mol×K | 671.30 | Joback Calculated Property |
| Cp,gas | 408.67 | J/mol×K | 704.37 | Joback Calculated Property |
| Cp,gas | 418.53 | J/mol×K | 737.44 | Joback Calculated Property |
| Cp,gas | 427.81 | J/mol×K | 770.51 | Joback Calculated Property |
| Cp,gas | 436.49 | J/mol×K | 803.58 | Joback Calculated Property |
| Cp,gas | 444.57 | J/mol×K | 836.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methoxycarbonyl-pent-2-enedioic acid dimethyl ester.
Sources
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