- InChI
- InChI=1S/C13H20O4/c1-3-5-6-7-11-17-13(15)9-8-12(14)16-10-4-2/h5-6,8-9H,3-4,7,10-11H2,1-2H3/b6-5+,9-8+
- InChI Key
- SSGOPRWMTHYQSV-HHWLVVFRSA-N
- Formula
- C13H20O4
- SMILES
- CCC=CCCOC(=O)C=CC(=O)OCCC
- Molecular Weight1
- 240.30
- ω : Acentric Factor.
- 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.6840 | Relay (... Calculated Property | |
| ΔfG° | -248.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -761.92 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 35.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.03 | kJ/mol | Relay (... Calculated Property |
| IE | 9.41 | eV | Relay (... Calculated Property |
| log10WS | -3.67 | Relay (... Calculated Property | |
| logPoct/wat | 2.395 | Crippen Calculated Property | |
| McVol | 200.310 | ml/mol | McGowan Calculated Property |
| Pc | 1940.65 | kPa | Joback Calculated Property |
| Inp | 1676.00 | NIST | |
| Tboil | 547.52 | K | Relay (... Calculated Property |
| Tc | 708.76 | K | Relay (... Calculated Property |
| Tfus | 237.62 | K | Relay (... Calculated Property |
| Vc | 0.725 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [525.14; 599.61] | J/mol×K | [657.74; 846.12] | 
|
| Cp,gas | 525.14 | J/mol×K | 657.74 | Joback Calculated Property |
| Cp,gas | 539.27 | J/mol×K | 689.14 | Joback Calculated Property |
| Cp,gas | 552.69 | J/mol×K | 720.53 | Joback Calculated Property |
| Cp,gas | 565.41 | J/mol×K | 751.93 | Joback Calculated Property |
| Cp,gas | 577.46 | J/mol×K | 783.32 | Joback Calculated Property |
| Cp,gas | 588.85 | J/mol×K | 814.72 | Joback Calculated Property |
| Cp,gas | 599.61 | J/mol×K | 846.12 | Joback Calculated Property |
| η | [0.0000998; 0.0013734] | Pa×s | [370.43; 657.74] |
|
| η | 0.0013734 | Pa×s | 370.43 | Joback Calculated Property |
| η | 0.0006908 | Pa×s | 418.31 | Joback Calculated Property |
| η | 0.0004002 | Pa×s | 466.20 | Joback Calculated Property |
| η | 0.0002566 | Pa×s | 514.09 | Joback Calculated Property |
| η | 0.0001775 | Pa×s | 561.97 | Joback Calculated Property |
| η | 0.0001301 | Pa×s | 609.86 | Joback Calculated Property |
| η | 0.0000998 | Pa×s | 657.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, propyl trans-hex-3-enyl ester.
Sources
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