- InChI
- InChI=1S/C22H38O4/c1-3-5-7-8-9-10-11-12-13-15-20-26-22(24)18-16-17-21(23)25-19-14-6-4-2/h3-4,6,8-20H2,1-2H3
- InChI Key
- NXJAJUIJBJIXNH-UHFFFAOYSA-N
- Formula
- C22H38O4
- SMILES
-
CCC#CCCCCCCCCOC(=O)CCCC(=O)OCC
CCC - Molecular Weight1
- 366.53
- 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° | -130.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -714.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 61.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.03 | kJ/mol | Joback Calculated Property |
| log10WS | -6.55 | Crippen Calculated Property | |
| logPoct/wat | 5.577 | Crippen Calculated Property | |
| McVol | 327.120 | ml/mol | McGowan Calculated Property |
| Pc | 1055.51 | kPa | Joback Calculated Property |
| Inp | [2659.00; 2659.00] |
|
|
| Inp | 2659.00 | NIST | |
| Inp | 2659.00 | NIST | |
| Tboil | 864.34 | K | Joback Calculated Property |
| Tc | 1060.10 | K | Joback Calculated Property |
| Tfus | 588.12 | K | Joback Calculated Property |
| Vc | 1.278 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1040.92; 1131.91] | J/mol×K | [864.34; 1060.10] |
|
| Cp,gas | 1040.92 | J/mol×K | 864.34 | Joback Calculated Property |
| Cp,gas | 1058.93 | J/mol×K | 896.97 | Joback Calculated Property |
| Cp,gas | 1075.77 | J/mol×K | 929.59 | Joback Calculated Property |
| Cp,gas | 1091.47 | J/mol×K | 962.22 | Joback Calculated Property |
| Cp,gas | 1106.04 | J/mol×K | 994.85 | Joback Calculated Property |
| Cp,gas | 1119.52 | J/mol×K | 1027.47 | Joback Calculated Property |
| Cp,gas | 1131.91 | J/mol×K | 1060.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, dodec-9-ynyl pentyl ester.
Sources
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