- InChI
- InChI=1S/C23H40O4/c1-3-5-7-9-10-11-12-13-14-16-21-27-23(25)19-17-18-22(24)26-20-15-8-6-4-2/h3-4,6,8-21H2,1-2H3
- InChI Key
- WRTJUVHERGRWMG-UHFFFAOYSA-N
- Formula
- C23H40O4
- SMILES
-
CCC#CCCCCCCCCOC(=O)CCCC(=O)OCC
CCCC - Molecular Weight1
- 380.56
- 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° | -122.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -735.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 64.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.26 | kJ/mol | Joback Calculated Property |
| log10WS | -6.97 | Crippen Calculated Property | |
| logPoct/wat | 5.967 | Crippen Calculated Property | |
| McVol | 341.210 | ml/mol | McGowan Calculated Property |
| Pc | 992.63 | kPa | Joback Calculated Property |
| Inp | [2751.00; 2751.00] |
|
|
| Inp | 2751.00 | NIST | |
| Inp | 2751.00 | NIST | |
| Tboil | 887.22 | K | Joback Calculated Property |
| Tc | 1086.71 | K | Joback Calculated Property |
| Tfus | 599.39 | K | Joback Calculated Property |
| Vc | 1.333 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1102.54; 1194.59] | J/mol×K | [887.22; 1086.71] |
|
| Cp,gas | 1102.54 | J/mol×K | 887.22 | Joback Calculated Property |
| Cp,gas | 1120.90 | J/mol×K | 920.47 | Joback Calculated Property |
| Cp,gas | 1138.02 | J/mol×K | 953.72 | Joback Calculated Property |
| Cp,gas | 1153.93 | J/mol×K | 986.96 | Joback Calculated Property |
| Cp,gas | 1168.64 | J/mol×K | 1020.21 | Joback Calculated Property |
| Cp,gas | 1182.19 | J/mol×K | 1053.46 | Joback Calculated Property |
| Cp,gas | 1194.59 | J/mol×K | 1086.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, dodec-9-ynyl hexyl ester.
Sources
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