- InChI
- InChI=1S/C17H28O4/c1-4-5-6-7-8-9-10-13-20-16(18)11-12-17(19)21-14-15(2)3/h8-9,11-12,15H,4-7,10,13-14H2,1-3H3/b9-8-,12-11+
- InChI Key
- BDDBPKMOUGINEJ-UONSLQGUSA-N
- Formula
- C17H28O4
- SMILES
-
CCCCCC=CCCOC(=O)C=CC(=O)OCC(C)
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 | 0.8043 | Relay (... Calculated Property | |
| ΔfG° | -217.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -856.73 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 42.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.04 | kJ/mol | Relay (... Calculated Property |
| IE | 9.33 | eV | Relay (... Calculated Property |
| log10WS | -4.84 | Relay (... Calculated Property | |
| logPoct/wat | 3.812 | Crippen Calculated Property | |
| McVol | 256.670 | ml/mol | McGowan Calculated Property |
| Pc | 1428.30 | kPa | Joback Calculated Property |
| Inp | [2024.00; 2024.00] |
|
|
| Inp | 2024.00 | NIST | |
| Inp | 2024.00 | NIST | |
| Tboil | 585.30 | K | Relay (... Calculated Property |
| Tc | 743.91 | K | Relay (... Calculated Property |
| Tfus | 248.60 | K | Relay (... Calculated Property |
| Vc | 0.927 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [743.81; 828.28] | J/mol×K | [748.82; 936.23] |
|
| Cp,gas | 743.81 | J/mol×K | 748.82 | Joback Calculated Property |
| Cp,gas | 759.96 | J/mol×K | 780.05 | Joback Calculated Property |
| Cp,gas | 775.24 | J/mol×K | 811.29 | Joback Calculated Property |
| Cp,gas | 789.68 | J/mol×K | 842.52 | Joback Calculated Property |
| Cp,gas | 803.31 | J/mol×K | 873.76 | Joback Calculated Property |
| Cp,gas | 816.17 | J/mol×K | 904.99 | Joback Calculated Property |
| Cp,gas | 828.28 | J/mol×K | 936.23 | Joback Calculated Property |
| η | [0.0000560; 0.0011986] | Pa×s | [400.51; 748.82] |
|
| η | 0.0011986 | Pa×s | 400.51 | Joback Calculated Property |
| η | 0.0005206 | Pa×s | 458.56 | Joback Calculated Property |
| η | 0.0002728 | Pa×s | 516.61 | Joback Calculated Property |
| η | 0.0001628 | Pa×s | 574.66 | Joback Calculated Property |
| η | 0.0001069 | Pa×s | 632.72 | Joback Calculated Property |
| η | 0.0000753 | Pa×s | 690.77 | Joback Calculated Property |
| η | 0.0000560 | Pa×s | 748.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, cis-non-3-enyl isobutyl ester.
Sources
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