- InChI
- InChI=1S/C21H36O4/c1-4-6-7-8-9-10-11-12-13-14-18-24-20(22)16-15-17-21(23)25-19(3)5-2/h2,19H,4,6-18H2,1,3H3
- InChI Key
- MBAHRVGKDAIDAT-UHFFFAOYSA-N
- Formula
- C21H36O4
- SMILES
-
C#CC(C)OC(=O)CCCC(=O)OCCCCCCCC
CCCC - Molecular Weight1
- 352.51
- 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° | -121.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -679.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 55.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.12 | kJ/mol | Joback Calculated Property |
| log10WS | -6.24 | Crippen Calculated Property | |
| logPoct/wat | 5.186 | Crippen Calculated Property | |
| McVol | 313.030 | ml/mol | McGowan Calculated Property |
| Pc | 1121.55 | kPa | Joback Calculated Property |
| Inp | 2415.00 | NIST | |
| Tboil | 822.14 | K | Joback Calculated Property |
| Tc | 1010.84 | K | Joback Calculated Property |
| Tfus | 502.72 | K | Joback Calculated Property |
| Vc | 1.216 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [974.11; 1064.90] | J/mol×K | [822.14; 1010.84] | 
|
| Cp,gas | 974.11 | J/mol×K | 822.14 | Joback Calculated Property |
| Cp,gas | 991.77 | J/mol×K | 853.59 | Joback Calculated Property |
| Cp,gas | 1008.39 | J/mol×K | 885.04 | Joback Calculated Property |
| Cp,gas | 1023.99 | J/mol×K | 916.49 | Joback Calculated Property |
| Cp,gas | 1038.59 | J/mol×K | 947.94 | Joback Calculated Property |
| Cp,gas | 1052.22 | J/mol×K | 979.39 | Joback Calculated Property |
| Cp,gas | 1064.90 | J/mol×K | 1010.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, but-3-yn-2-yl dodecyl ester.
Sources
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