- InChI
- InChI=1S/C15H26O4/c1-10(2)9-18-13(16)7-8-14(17)19-15(11(3)4)12(5)6/h7-8,10-12,15H,9H2,1-6H3/b8-7+
- InChI Key
- QANAKYZRMNKEAK-BQYQJAHWSA-N
- Formula
- C15H26O4
- SMILES
-
CC(C)COC(=O)C=CC(=O)OC(C(C)C)C
(C)C - Molecular Weight1
- 270.36
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | -321.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -746.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.70 | kJ/mol | Joback Calculated Property |
| log10WS | -3.07 | Crippen Calculated Property | |
| logPoct/wat | 2.966 | Crippen Calculated Property | |
| McVol | 232.790 | ml/mol | McGowan Calculated Property |
| Pc | 1623.29 | kPa | Joback Calculated Property |
| Inp | [1676.00; 1676.00] |
|
|
| Inp | 1676.00 | NIST | |
| Inp | 1676.00 | NIST | |
| Tboil | 697.58 | K | Joback Calculated Property |
| Tc | 888.50 | K | Joback Calculated Property |
| Tfus | 338.05 | K | Joback Calculated Property |
| Vc | 0.879 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [656.61; 743.10] | J/mol×K | [697.58; 888.50] |
|
| Cp,gas | 656.61 | J/mol×K | 697.58 | Joback Calculated Property |
| Cp,gas | 673.21 | J/mol×K | 729.40 | Joback Calculated Property |
| Cp,gas | 688.92 | J/mol×K | 761.22 | Joback Calculated Property |
| Cp,gas | 703.74 | J/mol×K | 793.04 | Joback Calculated Property |
| Cp,gas | 717.70 | J/mol×K | 824.86 | Joback Calculated Property |
| Cp,gas | 730.82 | J/mol×K | 856.68 | Joback Calculated Property |
| Cp,gas | 743.10 | J/mol×K | 888.50 | Joback Calculated Property |
| η | [0.0000667; 0.0034453] | Pa×s | [338.05; 697.58] |
|
| η | 0.0034453 | Pa×s | 338.05 | Joback Calculated Property |
| η | 0.0010885 | Pa×s | 397.97 | Joback Calculated Property |
| η | 0.0004649 | Pa×s | 457.89 | Joback Calculated Property |
| η | 0.0002418 | Pa×s | 517.81 | Joback Calculated Property |
| η | 0.0001440 | Pa×s | 577.74 | Joback Calculated Property |
| η | 0.0000946 | Pa×s | 637.66 | Joback Calculated Property |
| η | 0.0000667 | Pa×s | 697.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2,4-dimethylpent-3-yl isobutyl ester.
Sources
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