- InChI
- InChI=1S/C23H38O4/c1-6-8-9-10-11-18-26-22(24)14-12-15-23(25)27-21(17-16-19(3)4)20(5)13-7-2/h20-21H,3,6-15,18H2,1-2,4-5H3
- InChI Key
- NOERFMGTSZMRDW-UHFFFAOYSA-N
- Formula
- C23H38O4
- SMILES
-
C=C(C)C#CC(OC(=O)CCCC(=O)OCCCC
CCC)C(C)CCC - Molecular Weight1
- 378.55
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.9149 | Relay (... Calculated Property | |
| ΔfG° | -47.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -750.32 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 54.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.27 | kJ/mol | Relay (... Calculated Property |
| IE | 8.77 | eV | Relay (... Calculated Property |
| log10WS | -5.33 | Relay (... Calculated Property | |
| logPoct/wat | 5.598 | Crippen Calculated Property | |
| McVol | 336.910 | ml/mol | McGowan Calculated Property |
| Pc | 1033.24 | kPa | Joback Calculated Property |
| Inp | 2450.00 | NIST | |
| Tboil | 622.51 | K | Relay (... Calculated Property |
| Tc | 800.36 | K | Relay (... Calculated Property |
| Tfus | 269.30 | K | Relay (... Calculated Property |
| Vc | 1.218 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1074.62; 1164.70] | J/mol×K | [882.90; 1084.08] | 
|
| Cp,gas | 1074.62 | J/mol×K | 882.90 | Joback Calculated Property |
| Cp,gas | 1092.59 | J/mol×K | 916.43 | Joback Calculated Property |
| Cp,gas | 1109.34 | J/mol×K | 949.96 | Joback Calculated Property |
| Cp,gas | 1124.90 | J/mol×K | 983.49 | Joback Calculated Property |
| Cp,gas | 1139.29 | J/mol×K | 1017.02 | Joback Calculated Property |
| Cp,gas | 1152.55 | J/mol×K | 1050.55 | Joback Calculated Property |
| Cp,gas | 1164.70 | J/mol×K | 1084.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2,6-dimethylnon-1-en-3-yn-5-yl heptyl ester.
Sources
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