- InChI
- InChI=1S/C31H56O4/c1-4-7-9-11-12-13-14-15-16-17-18-19-20-21-23-28-34-30(32)26-24-27-31(33)35-29(6-3)25-22-10-8-5-2/h29H,4-9,11-21,23-28H2,1-3H3
- InChI Key
- HNSDHXBVAPXJOD-UHFFFAOYSA-N
- Formula
- C31H56O4
- SMILES
-
CCCC#CCC(CC)OC(=O)CCCC(=O)OCCC
CCCCCCCCCCCCCC - Molecular Weight1
- 492.77
- 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° | -57.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -905.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 81.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.68 | kJ/mol | Joback Calculated Property |
| log10WS | -10.43 | Crippen Calculated Property | |
| logPoct/wat | 9.087 | Crippen Calculated Property | |
| McVol | 453.930 | ml/mol | McGowan Calculated Property |
| Pc | 646.15 | kPa | Joback Calculated Property |
| Inp | 3444.00 | NIST | |
| Tboil | 1069.82 | K | Joback Calculated Property |
| Tc | 1335.10 | K | Joback Calculated Property |
| Tfus | 674.55 | K | Joback Calculated Property |
| Vc | 1.776 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1613.07; 1711.21] | J/mol×K | [1069.82; 1335.10] | 
|
| Cp,gas | 1613.07 | J/mol×K | 1069.82 | Joback Calculated Property |
| Cp,gas | 1635.10 | J/mol×K | 1114.03 | Joback Calculated Property |
| Cp,gas | 1654.72 | J/mol×K | 1158.25 | Joback Calculated Property |
| Cp,gas | 1672.03 | J/mol×K | 1202.46 | Joback Calculated Property |
| Cp,gas | 1687.15 | J/mol×K | 1246.67 | Joback Calculated Property |
| Cp,gas | 1700.17 | J/mol×K | 1290.88 | Joback Calculated Property |
| Cp,gas | 1711.21 | J/mol×K | 1335.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, heptadecyl non-5-yn-3-yl ester.
Sources
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