- InChI
- InChI=1S/C14H22O4/c1-3-5-7-8-12-18-14(16)10-9-13(15)17-11-6-4-2/h5,7,9-10H,3-4,6,8,11-12H2,1-2H3/b7-5-,10-9+
- InChI Key
- ZXNHJMOLFCNSCY-ROBNAOGRSA-N
- Formula
- C14H22O4
- SMILES
- CCC=CCCOC(=O)C=CC(=O)OCCCC
- Molecular Weight1
- 254.32
- 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° | -240.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -587.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.99 | kJ/mol | Joback Calculated Property |
| log10WS | -3.12 | Crippen Calculated Property | |
| logPoct/wat | 2.785 | Crippen Calculated Property | |
| McVol | 214.400 | ml/mol | McGowan Calculated Property |
| Pc | 1786.37 | kPa | Joback Calculated Property |
| Inp | [1789.00; 1789.00] |
|
|
| Inp | 1789.00 | NIST | |
| Inp | 1789.00 | NIST | |
| Tboil | 680.62 | K | Joback Calculated Property |
| Tc | 867.57 | K | Joback Calculated Property |
| Tfus | 381.70 | K | Joback Calculated Property |
| Vc | 0.828 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [577.81; 654.95] | J/mol×K | [680.62; 867.57] |
|
| Cp,gas | 577.81 | J/mol×K | 680.62 | Joback Calculated Property |
| Cp,gas | 592.46 | J/mol×K | 711.78 | Joback Calculated Property |
| Cp,gas | 606.36 | J/mol×K | 742.94 | Joback Calculated Property |
| Cp,gas | 619.54 | J/mol×K | 774.09 | Joback Calculated Property |
| Cp,gas | 632.01 | J/mol×K | 805.25 | Joback Calculated Property |
| Cp,gas | 643.81 | J/mol×K | 836.41 | Joback Calculated Property |
| Cp,gas | 654.95 | J/mol×K | 867.57 | Joback Calculated Property |
| η | [0.0000887; 0.0012769] | Pa×s | [381.70; 680.62] |
|
| η | 0.0012769 | Pa×s | 381.70 | Joback Calculated Property |
| η | 0.0006335 | Pa×s | 431.52 | Joback Calculated Property |
| η | 0.0003633 | Pa×s | 481.34 | Joback Calculated Property |
| η | 0.0002313 | Pa×s | 531.16 | Joback Calculated Property |
| η | 0.0001591 | Pa×s | 580.98 | Joback Calculated Property |
| η | 0.0001161 | Pa×s | 630.80 | Joback Calculated Property |
| η | 0.0000887 | Pa×s | 680.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, butyl cis-hex-3-enyl ester.
Sources
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