- InChI
- InChI=1S/C16H28O4/c1-4-5-6-7-12-19-15(17)9-8-10-16(18)20-13-11-14(2)3/h11H,4-10,12-13H2,1-3H3
- InChI Key
- VRHNMFYREZUTCC-UHFFFAOYSA-N
- Formula
- C16H28O4
- SMILES
- CCCCCCOC(=O)CCCC(=O)OCC=C(C)C
- Molecular Weight1
- 284.39
- 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° | -312.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -755.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.56 | kJ/mol | Joback Calculated Property |
| log10WS | -4.10 | Crippen Calculated Property | |
| logPoct/wat | 3.790 | Crippen Calculated Property | |
| McVol | 246.880 | ml/mol | McGowan Calculated Property |
| Pc | 1473.62 | kPa | Joback Calculated Property |
| Inp | 2008.00 | NIST | |
| Tboil | 722.10 | K | Joback Calculated Property |
| Tc | 904.50 | K | Joback Calculated Property |
| Tfus | 395.36 | K | Joback Calculated Property |
| Vc | 0.961 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [710.07; 795.23] | J/mol×K | [722.10; 904.50] | 
|
| Cp,gas | 710.07 | J/mol×K | 722.10 | Joback Calculated Property |
| Cp,gas | 726.27 | J/mol×K | 752.50 | Joback Calculated Property |
| Cp,gas | 741.64 | J/mol×K | 782.90 | Joback Calculated Property |
| Cp,gas | 756.21 | J/mol×K | 813.30 | Joback Calculated Property |
| Cp,gas | 769.98 | J/mol×K | 843.70 | Joback Calculated Property |
| Cp,gas | 782.99 | J/mol×K | 874.10 | Joback Calculated Property |
| Cp,gas | 795.23 | J/mol×K | 904.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hexyl 3-methylbut-2-enyl ester.
Sources
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