- InChI
- InChI=1S/C17H28O4/c1-4-6-7-8-9-10-14-20-16(18)12-13-17(19)21-15(3)11-5-2/h5,12-13,15H,2,4,6-11,14H2,1,3H3/b13-12+
- InChI Key
- UHWGIXWBHFFSQP-OUKQBFOZSA-N
- Formula
- C17H28O4
- SMILES
-
C=CCC(C)OC(=O)C=CC(=O)OCCCCCCC
C - Molecular Weight1
- 296.40
- 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 | 0.8294 | Relay (... Calculated Property | |
| ΔfG° | -209.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -830.34 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 40.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.59 | kJ/mol | Relay (... Calculated Property |
| IE | 9.73 | eV | Relay (... Calculated Property |
| log10WS | -4.74 | Relay (... Calculated Property | |
| logPoct/wat | 3.954 | Crippen Calculated Property | |
| McVol | 256.670 | ml/mol | McGowan Calculated Property |
| Pc | 1417.57 | kPa | Joback Calculated Property |
| Inp | [2000.00; 2000.00] |
|
|
| Inp | 2000.00 | NIST | |
| Inp | 2000.00 | NIST | |
| Tboil | 585.86 | K | Relay (... Calculated Property |
| Tc | 744.49 | K | Relay (... Calculated Property |
| Tfus | 253.06 | K | Relay (... Calculated Property |
| Vc | 0.928 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [742.59; 826.89] | J/mol×K | [741.34; 925.92] |
|
| Cp,gas | 742.59 | J/mol×K | 741.34 | Joback Calculated Property |
| Cp,gas | 758.72 | J/mol×K | 772.10 | Joback Calculated Property |
| Cp,gas | 773.99 | J/mol×K | 802.87 | Joback Calculated Property |
| Cp,gas | 788.42 | J/mol×K | 833.63 | Joback Calculated Property |
| Cp,gas | 802.03 | J/mol×K | 864.39 | Joback Calculated Property |
| Cp,gas | 814.85 | J/mol×K | 895.16 | Joback Calculated Property |
| Cp,gas | 826.89 | J/mol×K | 925.92 | Joback Calculated Property |
| η | [0.0000686; 0.0012808] | Pa×s | [403.83; 741.34] |
|
| η | 0.0012808 | Pa×s | 403.83 | Joback Calculated Property |
| η | 0.0005835 | Pa×s | 460.08 | Joback Calculated Property |
| η | 0.0003155 | Pa×s | 516.33 | Joback Calculated Property |
| η | 0.0001925 | Pa×s | 572.58 | Joback Calculated Property |
| η | 0.0001283 | Pa×s | 628.84 | Joback Calculated Property |
| η | 0.0000914 | Pa×s | 685.09 | Joback Calculated Property |
| η | 0.0000686 | Pa×s | 741.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, octyl pent-4-en-2-yl ester.
Sources
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