- InChI
- InChI=1S/C27H40O4/c1-9-12-22(7)24(18-16-20(3)4)30-26(28)14-11-15-27(29)31-25(19-17-21(5)6)23(8)13-10-2/h22-25H,3,5,9-15H2,1-2,4,6-8H3
- InChI Key
- YANURNHVAISHPM-UHFFFAOYSA-N
- Formula
- C27H40O4
- SMILES
-
C=C(C)C#CC(OC(=O)CCCC(=O)OC(C#
CC(=C)C)C(C)CCC)C(C)CCC - Molecular Weight1
- 428.60
- 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 | 0.8422 | Relay (... Calculated Property | |
| ΔfG° | 263.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -540.14 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 58.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.36 | kJ/mol | Relay (... Calculated Property |
| IE | 8.56 | eV | Relay (... Calculated Property |
| log10WS | -5.95 | Relay (... Calculated Property | |
| logPoct/wat | 6.012 | Crippen Calculated Property | |
| McVol | 380.370 | ml/mol | McGowan Calculated Property |
| Pc | 934.06 | kPa | Joback Calculated Property |
| Inp | [2607.00; 2607.00] |
|
|
| Inp | 2607.00 | NIST | |
| Inp | 2607.00 | NIST | |
| Tboil | 632.77 | K | Relay (... Calculated Property |
| Tc | 821.10 | K | Relay (... Calculated Property |
| Tfus | 306.33 | K | Relay (... Calculated Property |
| Vc | 1.323 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1239.58; 1324.22] | J/mol×K | [979.10; 1200.64] |
|
| Cp,gas | 1239.58 | J/mol×K | 979.10 | Joback Calculated Property |
| Cp,gas | 1257.09 | J/mol×K | 1016.02 | Joback Calculated Property |
| Cp,gas | 1273.17 | J/mol×K | 1052.95 | Joback Calculated Property |
| Cp,gas | 1287.87 | J/mol×K | 1089.87 | Joback Calculated Property |
| Cp,gas | 1301.24 | J/mol×K | 1126.79 | Joback Calculated Property |
| Cp,gas | 1313.34 | J/mol×K | 1163.72 | Joback Calculated Property |
| Cp,gas | 1324.22 | J/mol×K | 1200.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, di(2,6-dimethylnon-1-en-3-yn-5-yl) ester.
Sources
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