- InChI
- InChI=1S/C22H38O4/c1-5-7-9-10-11-12-17-25-21(23)15-13-16-22(24)26-20(14-8-6-2)18-19(3)4/h19-20H,5-7,9-13,15-18H2,1-4H3
- InChI Key
- CCFHMEBEKKYVJZ-UHFFFAOYSA-N
- Formula
- C22H38O4
- SMILES
-
CCC#CC(CC(C)C)OC(=O)CCCC(=O)OC
CCCCCCC - Molecular Weight1
- 366.53
- 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 | 0.9141 | Relay (... Calculated Property | |
| ΔfG° | -135.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -841.84 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 54.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.15 | kJ/mol | Relay (... Calculated Property |
| IE | 9.13 | eV | Relay (... Calculated Property |
| log10WS | -5.36 | Relay (... Calculated Property | |
| logPoct/wat | 5.432 | Crippen Calculated Property | |
| McVol | 327.120 | ml/mol | McGowan Calculated Property |
| Pc | 1066.57 | kPa | Joback Calculated Property |
| Inp | [3503.00; 3503.00] |
|
|
| Inp | 3503.00 | NIST | |
| Inp | 3503.00 | NIST | |
| Tboil | 611.57 | K | Relay (... Calculated Property |
| Tc | 794.23 | K | Relay (... Calculated Property |
| Tfus | 265.78 | K | Relay (... Calculated Property |
| Vc | 1.200 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1041.86; 1132.95] | J/mol×K | [863.46; 1060.75] |
|
| Cp,gas | 1041.86 | J/mol×K | 863.46 | Joback Calculated Property |
| Cp,gas | 1059.98 | J/mol×K | 896.34 | Joback Calculated Property |
| Cp,gas | 1076.90 | J/mol×K | 929.22 | Joback Calculated Property |
| Cp,gas | 1092.63 | J/mol×K | 962.11 | Joback Calculated Property |
| Cp,gas | 1107.20 | J/mol×K | 994.99 | Joback Calculated Property |
| Cp,gas | 1120.63 | J/mol×K | 1027.87 | Joback Calculated Property |
| Cp,gas | 1132.95 | J/mol×K | 1060.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2-methyloct-5-yn-4-yl octyl ester.
Sources
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