- InChI
- InChI=1S/C16H28O4/c1-13(2)7-6-11-19-15(17)8-5-9-16(18)20-12-10-14(3)4/h13H,3,5-12H2,1-2,4H3
- InChI Key
- JRTOTODCXLHRGH-UHFFFAOYSA-N
- Formula
- C16H28O4
- SMILES
-
C=C(C)CCOC(=O)CCCC(=O)OCCCC(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° | -307.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -752.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.54 | kJ/mol | Joback Calculated Property |
| log10WS | -3.86 | Crippen Calculated Property | |
| logPoct/wat | 3.645 | Crippen Calculated Property | |
| McVol | 246.880 | ml/mol | McGowan Calculated Property |
| Pc | 1471.36 | kPa | Joback Calculated Property |
| Inp | 1943.00 | NIST | |
| Tboil | 714.18 | K | Joback Calculated Property |
| Tc | 895.85 | K | Joback Calculated Property |
| Tfus | 383.68 | K | Joback Calculated Property |
| Vc | 0.956 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [709.19; 795.16] | J/mol×K | [714.18; 895.85] | 
|
| Cp,gas | 709.19 | J/mol×K | 714.18 | Joback Calculated Property |
| Cp,gas | 725.58 | J/mol×K | 744.46 | Joback Calculated Property |
| Cp,gas | 741.14 | J/mol×K | 774.74 | Joback Calculated Property |
| Cp,gas | 755.86 | J/mol×K | 805.02 | Joback Calculated Property |
| Cp,gas | 769.76 | J/mol×K | 835.30 | Joback Calculated Property |
| Cp,gas | 782.86 | J/mol×K | 865.57 | Joback Calculated Property |
| Cp,gas | 795.16 | J/mol×K | 895.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, isohexyl 3-methylbut-3-enyl ester.
Sources
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