- InChI
- InChI=1S/C17H30O4/c1-4-6-7-8-9-13-20-16(18)11-12-17(19)21-14-15(3)10-5-2/h11-12,15H,4-10,13-14H2,1-3H3/b12-11+
- InChI Key
- ODNOMTBXFJOGNC-VAWYXSNFSA-N
- Formula
- C17H30O4
- SMILES
- CCCCCCCOC(=O)C=CC(=O)OCC(C)CCC
- Molecular Weight1
- 298.42
- 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 | 0.8756 | Relay (... Calculated Property | |
| ΔfG° | -297.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -926.04 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 42.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.78 | kJ/mol | Relay (... Calculated Property |
| IE | 9.83 | eV | Relay (... Calculated Property |
| log10WS | -5.19 | Relay (... Calculated Property | |
| logPoct/wat | 4.036 | Crippen Calculated Property | |
| McVol | 260.970 | ml/mol | McGowan Calculated Property |
| Pc | 1373.78 | kPa | Joback Calculated Property |
| Inp | [1973.00; 1973.00] |
|
|
| Inp | 1973.00 | NIST | |
| Inp | 1973.00 | NIST | |
| Tboil | 585.17 | K | Relay (... Calculated Property |
| Tc | 750.00 | K | Relay (... Calculated Property |
| Tfus | 241.27 | K | Relay (... Calculated Property |
| Vc | 0.960 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [767.78; 854.89] | J/mol×K | [744.66; 927.57] |
|
| Cp,gas | 767.78 | J/mol×K | 744.66 | Joback Calculated Property |
| Cp,gas | 784.43 | J/mol×K | 775.14 | Joback Calculated Property |
| Cp,gas | 800.20 | J/mol×K | 805.63 | Joback Calculated Property |
| Cp,gas | 815.12 | J/mol×K | 836.11 | Joback Calculated Property |
| Cp,gas | 829.19 | J/mol×K | 866.60 | Joback Calculated Property |
| Cp,gas | 842.44 | J/mol×K | 897.08 | Joback Calculated Property |
| Cp,gas | 854.89 | J/mol×K | 927.57 | Joback Calculated Property |
| η | [0.0000647; 0.0012840] | Pa×s | [405.59; 744.66] |
|
| η | 0.0012840 | Pa×s | 405.59 | Joback Calculated Property |
| η | 0.0005755 | Pa×s | 462.10 | Joback Calculated Property |
| η | 0.0003072 | Pa×s | 518.61 | Joback Calculated Property |
| η | 0.0001855 | Pa×s | 575.12 | Joback Calculated Property |
| η | 0.0001226 | Pa×s | 631.64 | Joback Calculated Property |
| η | 0.0000868 | Pa×s | 688.15 | Joback Calculated Property |
| η | 0.0000647 | Pa×s | 744.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, heptyl 2-methylpentyl ester.
Sources
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