- InChI
- InChI=1S/C21H34O4/c1-16(2)9-8-14-24-20(22)10-7-11-21(23)25-19(15-18(5)6)13-12-17(3)4/h16,18-19H,3,7-11,14-15H2,1-2,4-6H3
- InChI Key
- XHXJEMQTYMEMHY-UHFFFAOYSA-N
- Formula
- C21H34O4
- SMILES
-
C=C(C)C#CC(CC(C)C)OC(=O)CCCC(=
O)OCCCC(C)C - Molecular Weight1
- 350.49
- 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° | -67.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -594.27 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.05 | kJ/mol | Joback Calculated Property |
| log10WS | -5.61 | Crippen Calculated Property | |
| logPoct/wat | 4.674 | Crippen Calculated Property | |
| McVol | 308.730 | ml/mol | McGowan Calculated Property |
| Pc | 1180.09 | kPa | Joback Calculated Property |
| Inp | 2232.00 | NIST | |
| Tboil | 836.70 | K | Joback Calculated Property |
| Tc | 1035.53 | K | Joback Calculated Property |
| Tfus | 516.13 | K | Joback Calculated Property |
| Vc | 1.185 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [953.60; 1042.52] | J/mol×K | [836.70; 1035.53] | 
|
| Cp,gas | 953.60 | J/mol×K | 836.70 | Joback Calculated Property |
| Cp,gas | 971.20 | J/mol×K | 869.84 | Joback Calculated Property |
| Cp,gas | 987.66 | J/mol×K | 902.98 | Joback Calculated Property |
| Cp,gas | 1002.99 | J/mol×K | 936.12 | Joback Calculated Property |
| Cp,gas | 1017.24 | J/mol×K | 969.26 | Joback Calculated Property |
| Cp,gas | 1030.40 | J/mol×K | 1002.39 | Joback Calculated Property |
| Cp,gas | 1042.52 | J/mol×K | 1035.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2,7-dimethyloct-5-yn-7-en-4-yl isohexyl ester.
Sources
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