- InChI
- InChI=1S/C17H28O4/c1-3-5-7-8-9-11-15-21-17(19)13-12-16(18)20-14-10-6-4-2/h4,12-13H,2-3,5-11,14-15H2,1H3/b13-12+
- InChI Key
- KBNAFOHVDNHYOS-OUKQBFOZSA-N
- Formula
- C17H28O4
- SMILES
-
C=CCCCOC(=O)/C=C/C(=O)OCCCCCCC
C - Molecular Weight1
- 296.41
- 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 | 0.8741 | Relay (1.0) Calculated Property | |
| ΔfG° | -360.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -819.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.29 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.956 | Crippen Calculated Property | |
| McVol | 256.670 | ml/mol | McGowan Calculated Property |
| Pc | 1326.17 | kPa | Joback Calculated Property |
| Inp | 2087.00 | NIST | |
| Tboil | 615.78 | K | Relay (1.0) Calculated Property |
| Tc | 767.59 | K | Relay (1.0) Calculated Property |
| Tfus | 268.52 | K | Relay (1.0) Calculated Property |
| Vc | 0.941 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [728.39; 813.23] | J/mol×K | [705.84; 883.33] | 
|
| Cp,gas | 728.39 | J/mol×K | 705.84 | Joback Calculated Property |
| Cp,gas | 744.67 | J/mol×K | 735.42 | Joback Calculated Property |
| Cp,gas | 760.07 | J/mol×K | 765.00 | Joback Calculated Property |
| Cp,gas | 774.60 | J/mol×K | 794.59 | Joback Calculated Property |
| Cp,gas | 788.29 | J/mol×K | 824.17 | Joback Calculated Property |
| Cp,gas | 801.16 | J/mol×K | 853.75 | Joback Calculated Property |
| Cp,gas | 813.23 | J/mol×K | 883.33 | Joback Calculated Property |
| η | [0.0000595; 0.0020856] | Pa×s | [359.17; 705.84] |
|
| η | 0.0020856 | Pa×s | 359.17 | Joback Calculated Property |
| η | 0.0007644 | Pa×s | 416.95 | Joback Calculated Property |
| η | 0.0003577 | Pa×s | 474.73 | Joback Calculated Property |
| η | 0.0001974 | Pa×s | 532.50 | Joback Calculated Property |
| η | 0.0001223 | Pa×s | 590.28 | Joback Calculated Property |
| η | 0.0000826 | Pa×s | 648.06 | Joback Calculated Property |
| η | 0.0000595 | Pa×s | 705.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, octyl pent-4-enyl ester.
Sources
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