- InChI
- InChI=1S/C9H12O6/c1-13-7(10)4-6(9(12)15-3)5-8(11)14-2/h4H,5H2,1-3H3/b6-4-
- InChI Key
- DZAIBGWGBBQGPZ-XQRVVYSFSA-N
- Formula
- C9H12O6
- SMILES
- COC(=O)C=C(CC(=O)OC)C(=O)OC
- Molecular Weight1
- 216.19
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -1024.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.98 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | -0.178 | Crippen Calculated Property | |
| McVol | 155.690 | ml/mol | McGowan Calculated Property |
| Pc | 2475.19 | kPa | Joback Calculated Property |
| Tboil | 535.78 | K | Relay (1.0) Calculated Property |
| Tfus | 302.91 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Volume, 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [231.57; 477.12] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 5.70610e+01 | |||
| Coefficient B | 7.14360e-01 | |||
| Coefficient C | -2.68100e-04 | |||
| Coefficient D | -2.62000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 231.57 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 275.07 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 314.71 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 350.41 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 382.08 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 409.64 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 433.01 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 452.10 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 466.83 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 477.12 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Trimethyl (1z)-1-propene-1,2,3-tricarboxylate.
Sources
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