- InChI
- InChI=1S/C15H26O4/c1-5-6-7-8-13(4)19-15(17)10-9-14(16)18-11-12(2)3/h9-10,12-13H,5-8,11H2,1-4H3/b10-9+
- InChI Key
- HSAFRQVMNUQKPW-MDZDMXLPSA-N
- Formula
- C15H26O4
- SMILES
- CCCCCC(C)OC(=O)C=CC(=O)OCC(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° | -317.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -735.87 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.48 | kJ/mol | Joback Calculated Property |
| log10WS | -3.55 | Crippen Calculated Property | |
| logPoct/wat | 3.254 | Crippen Calculated Property | |
| McVol | 232.790 | ml/mol | McGowan Calculated Property |
| Pc | 1602.56 | kPa | Joback Calculated Property |
| Inp | [1759.00; 1759.00] |
|
|
| Inp | 1759.00 | NIST | |
| Inp | 1759.00 | NIST | |
| Tboil | 698.46 | K | Joback Calculated Property |
| Tc | 884.01 | K | Joback Calculated Property |
| Tfus | 368.05 | K | Joback Calculated Property |
| Vc | 0.891 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [655.63; 740.00] | J/mol×K | [698.46; 884.01] |
|
| Cp,gas | 655.63 | J/mol×K | 698.46 | Joback Calculated Property |
| Cp,gas | 671.72 | J/mol×K | 729.38 | Joback Calculated Property |
| Cp,gas | 686.98 | J/mol×K | 760.31 | Joback Calculated Property |
| Cp,gas | 701.42 | J/mol×K | 791.23 | Joback Calculated Property |
| Cp,gas | 715.06 | J/mol×K | 822.16 | Joback Calculated Property |
| Cp,gas | 727.92 | J/mol×K | 853.08 | Joback Calculated Property |
| Cp,gas | 740.00 | J/mol×K | 884.01 | Joback Calculated Property |
| η | [0.0000779; 0.0019655] | Pa×s | [368.05; 698.46] |
|
| η | 0.0019655 | Pa×s | 368.05 | Joback Calculated Property |
| η | 0.0008087 | Pa×s | 423.12 | Joback Calculated Property |
| η | 0.0004083 | Pa×s | 478.19 | Joback Calculated Property |
| η | 0.0002374 | Pa×s | 533.25 | Joback Calculated Property |
| η | 0.0001528 | Pa×s | 588.32 | Joback Calculated Property |
| η | 0.0001060 | Pa×s | 643.39 | Joback Calculated Property |
| η | 0.0000779 | Pa×s | 698.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2-heptyl isobutyl ester.
Sources
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