- InChI
- InChI=1S/C17H30O4/c1-4-5-6-9-13-20-16(18)10-7-8-11-17(19)21-14-12-15(2)3/h2,4-14H2,1,3H3
- InChI Key
- KBCFBEIHXYRCAZ-UHFFFAOYSA-N
- Formula
- C17H30O4
- SMILES
- C=C(C)CCOC(=O)CCCCC(=O)OCCCCCC
- Molecular Weight1
- 298.42
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 | 0.8903 | Relay (... Calculated Property | |
| ΔfG° | -296.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -918.32 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 42.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.96 | kJ/mol | Relay (... Calculated Property |
| IE | 9.15 | eV | Relay (... Calculated Property |
| log10WS | -3.94 | Relay (... Calculated Property | |
| logPoct/wat | 4.180 | Crippen Calculated Property | |
| McVol | 260.970 | ml/mol | McGowan Calculated Property |
| Pc | 1360.63 | kPa | Joback Calculated Property |
| Inp | 2027.00 | NIST | |
| Tboil | 601.01 | K | Relay (... Calculated Property |
| Tc | 753.22 | K | Relay (... Calculated Property |
| Tfus | 253.64 | K | Relay (... Calculated Property |
| Vc | 0.987 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [765.49; 852.44] | J/mol×K | [737.50; 917.45] | 
|
| Cp,gas | 765.49 | J/mol×K | 737.50 | Joback Calculated Property |
| Cp,gas | 782.08 | J/mol×K | 767.49 | Joback Calculated Property |
| Cp,gas | 797.81 | J/mol×K | 797.48 | Joback Calculated Property |
| Cp,gas | 812.70 | J/mol×K | 827.48 | Joback Calculated Property |
| Cp,gas | 826.76 | J/mol×K | 857.47 | Joback Calculated Property |
| Cp,gas | 840.00 | J/mol×K | 887.46 | Joback Calculated Property |
| Cp,gas | 852.44 | J/mol×K | 917.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, hexyl 3-methylbut-3-enyl ester.
Sources
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