- InChI
- InChI=1S/C12H18O6/c1-4-16-10(13)7-9(12(15)18-6-3)8-11(14)17-5-2/h7H,4-6,8H2,1-3H3
- InChI Key
- IDDWGDKSBYYEPL-UHFFFAOYSA-N
- Formula
- C12H18O6
- SMILES
- CCOC(=O)C=C(CC(=O)OCC)C(=O)OCC
- Molecular Weight1
- 258.27
- Other Names
-
- triethyl 1-propene-1,2,3-tricarboxylate
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.7406 | Relay (1.0) Calculated Property | |
| ΔfG° | -809.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1133.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.992 | Crippen Calculated Property | |
| McVol | 197.960 | ml/mol | McGowan Calculated Property |
| Pc | 1893.65 | kPa | Joback Calculated Property |
| Tboil | 568.49 | K | Relay (1.0) Calculated Property |
| Tc | 731.51 | K | Relay (1.0) Calculated Property |
| Tfus | 264.87 | K | Relay (1.0) Calculated Property |
| Vc | 0.745 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [295.21; 631.89] | 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 | 5.43340e+01 | |||
| Coefficient B | 9.99360e-01 | |||
| Coefficient C | -4.31300e-04 | |||
| Coefficient D | 9.50000e-09 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 295.21 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 354.33 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 407.94 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 456.10 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 498.81 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 536.12 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 568.06 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 594.64 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 615.91 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 631.89 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,2,3-Propenetricarboxylic acid, triethyl ester.
Sources
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