- InChI
- InChI=1S/C17H30O4/c1-14(2)8-7-12-20-16(18)9-5-6-10-17(19)21-13-11-15(3)4/h14H,3,5-13H2,1-2,4H3
- InChI Key
- BRDXTCMREAPHGR-UHFFFAOYSA-N
- Formula
- C17H30O4
- SMILES
-
C=C(C)CCOC(=O)CCCCC(=O)OCCCC(C
)C - Molecular Weight1
- 298.42
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -298.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -773.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.77 | kJ/mol | Joback Calculated Property |
| log10WS | -4.28 | Crippen Calculated Property | |
| logPoct/wat | 4.036 | Crippen Calculated Property | |
| McVol | 260.970 | ml/mol | McGowan Calculated Property |
| Pc | 1368.70 | kPa | Joback Calculated Property |
| Inp | 1992.00 | NIST | |
| Tboil | 737.06 | K | Joback Calculated Property |
| Tc | 918.87 | K | Joback Calculated Property |
| Tfus | 394.95 | K | Joback Calculated Property |
| Vc | 1.012 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [765.98; 853.67] | J/mol×K | [737.06; 918.87] | 
|
| Cp,gas | 765.98 | J/mol×K | 737.06 | Joback Calculated Property |
| Cp,gas | 782.76 | J/mol×K | 767.36 | Joback Calculated Property |
| Cp,gas | 798.65 | J/mol×K | 797.66 | Joback Calculated Property |
| Cp,gas | 813.68 | J/mol×K | 827.96 | Joback Calculated Property |
| Cp,gas | 827.85 | J/mol×K | 858.26 | Joback Calculated Property |
| Cp,gas | 841.17 | J/mol×K | 888.56 | Joback Calculated Property |
| Cp,gas | 853.67 | J/mol×K | 918.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, isohexyl 3-methylbut-3-enyl ester.
Sources
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