- InChI
- InChI=1S/C23H36O4/c1-4-7-8-9-10-11-12-13-14-15-20-26-22(24)18-16-19-23(25)27-21(6-3)17-5-2/h21H,4,6,9-16,18-20H2,1-3H3
- InChI Key
- YVIFVYSKJCDDSC-UHFFFAOYSA-N
- Formula
- C23H36O4
- SMILES
-
CC#CC(CC)OC(=O)CCCC(=O)OCCCCCC
CCC#CCC - Molecular Weight1
- 376.53
- 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° | 78.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -468.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 63.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.02 | kJ/mol | Joback Calculated Property |
| log10WS | -6.88 | Crippen Calculated Property | |
| logPoct/wat | 5.189 | Crippen Calculated Property | |
| McVol | 332.610 | ml/mol | McGowan Calculated Property |
| Pc | 1106.68 | kPa | Joback Calculated Property |
| Inp | [2661.00; 2661.00] |
|
|
| Inp | 2661.00 | NIST | |
| Inp | 2661.00 | NIST | |
| Tboil | 895.78 | K | Joback Calculated Property |
| Tc | 1101.62 | K | Joback Calculated Property |
| Tfus | 690.49 | K | Joback Calculated Property |
| Vc | 1.290 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1050.28; 1136.33] | J/mol×K | [895.78; 1101.62] |
|
| Cp,gas | 1050.28 | J/mol×K | 895.78 | Joback Calculated Property |
| Cp,gas | 1067.66 | J/mol×K | 930.09 | Joback Calculated Property |
| Cp,gas | 1083.80 | J/mol×K | 964.39 | Joback Calculated Property |
| Cp,gas | 1098.71 | J/mol×K | 998.70 | Joback Calculated Property |
| Cp,gas | 1112.42 | J/mol×K | 1033.01 | Joback Calculated Property |
| Cp,gas | 1124.96 | J/mol×K | 1067.32 | Joback Calculated Property |
| Cp,gas | 1136.33 | J/mol×K | 1101.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, hex-4-yn-3-yl dodec-9-yn-1-yl ester.
Sources
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