- InChI
- InChI=1S/C20H34O4/c1-6-7-11-18(15-17(4)5)24-20(22)13-8-12-19(21)23-14-9-10-16(2)3/h16-18H,6,8-10,12-15H2,1-5H3
- InChI Key
- TVOQNVJJRLZJCU-UHFFFAOYSA-N
- Formula
- C20H34O4
- SMILES
-
CCC#CC(CC(C)C)OC(=O)CCCC(=O)OC
CCC(C)C - Molecular Weight1
- 338.48
- 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 | 0.8091 | Relay (1.0) Calculated Property | |
| ΔfG° | -154.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -819.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.507 | Crippen Calculated Property | |
| McVol | 298.940 | ml/mol | McGowan Calculated Property |
| Pc | 1220.85 | kPa | Joback Calculated Property |
| Inp | 3410.00 | NIST | |
| Tboil | 591.76 | K | Relay (1.0) Calculated Property |
| Tc | 774.98 | K | Relay (1.0) Calculated Property |
| Tfus | 257.68 | K | Relay (1.0) Calculated Property |
| Vc | 1.084 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [921.30; 1011.27] | J/mol×K | [817.26; 1012.46] | 
|
| Cp,gas | 921.30 | J/mol×K | 817.26 | Joback Calculated Property |
| Cp,gas | 939.03 | J/mol×K | 849.79 | Joback Calculated Property |
| Cp,gas | 955.64 | J/mol×K | 882.33 | Joback Calculated Property |
| Cp,gas | 971.16 | J/mol×K | 914.86 | Joback Calculated Property |
| Cp,gas | 985.59 | J/mol×K | 947.39 | Joback Calculated Property |
| Cp,gas | 998.96 | J/mol×K | 979.93 | Joback Calculated Property |
| Cp,gas | 1011.27 | J/mol×K | 1012.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, isohexyl 2-methyloct-5-yn-4-yl ester.
Sources
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