- InChI
- InChI=1S/C17H28O4/c1-3-5-7-8-9-10-11-15-21-17(19)13-12-16(18)20-14-6-4-2/h9-10,12-13H,3-8,11,14-15H2,1-2H3/b10-9-,13-12+
- InChI Key
- SARAGQQFJDOTAT-WBVBYKIGSA-N
- Formula
- C17H28O4
- SMILES
- CCCCCC=CCCOC(=O)C=CC(=O)OCCCC
- Molecular Weight1
- 296.40
- 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° | -215.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -649.37 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.66 | kJ/mol | Joback Calculated Property |
| log10WS | -4.37 | Crippen Calculated Property | |
| logPoct/wat | 3.956 | Crippen Calculated Property | |
| McVol | 256.670 | ml/mol | McGowan Calculated Property |
| Pc | 1419.71 | kPa | Joback Calculated Property |
| Inp | [2072.00; 2072.00] |
|
|
| Inp | 2072.00 | NIST | |
| Inp | 2072.00 | NIST | |
| Tboil | 749.26 | K | Joback Calculated Property |
| Tc | 934.62 | K | Joback Calculated Property |
| Tfus | 415.51 | K | Joback Calculated Property |
| Vc | 0.996 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [743.30; 827.02] | J/mol×K | [749.26; 934.62] |
|
| Cp,gas | 743.30 | J/mol×K | 749.26 | Joback Calculated Property |
| Cp,gas | 759.26 | J/mol×K | 780.15 | Joback Calculated Property |
| Cp,gas | 774.37 | J/mol×K | 811.05 | Joback Calculated Property |
| Cp,gas | 788.68 | J/mol×K | 841.94 | Joback Calculated Property |
| Cp,gas | 802.20 | J/mol×K | 872.83 | Joback Calculated Property |
| Cp,gas | 814.98 | J/mol×K | 903.72 | Joback Calculated Property |
| Cp,gas | 827.02 | J/mol×K | 934.62 | Joback Calculated Property |
| η | [0.0000607; 0.0009864] | Pa×s | [415.51; 749.26] |
|
| η | 0.0009864 | Pa×s | 415.51 | Joback Calculated Property |
| η | 0.0004712 | Pa×s | 471.14 | Joback Calculated Property |
| η | 0.0002631 | Pa×s | 526.76 | Joback Calculated Property |
| η | 0.0001642 | Pa×s | 582.38 | Joback Calculated Property |
| η | 0.0001112 | Pa×s | 638.01 | Joback Calculated Property |
| η | 0.0000802 | Pa×s | 693.63 | Joback Calculated Property |
| η | 0.0000607 | Pa×s | 749.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, butyl cis-non-3-enyl ester.
Sources
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