- InChI
- InChI=1S/C28H50O4/c1-5-7-9-10-11-12-13-14-15-16-17-18-23-31-27(29)21-19-22-28(30)32-26(20-8-6-2)24-25(3)4/h25-26H,5-7,9-19,21-24H2,1-4H3
- InChI Key
- GBRVGHAUAYASKB-UHFFFAOYSA-N
- Formula
- C28H50O4
- SMILES
-
CCC#CC(CC(C)C)OC(=O)CCCC(=O)OC
CCCCCCCCCCCCC - Molecular Weight1
- 450.69
- 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 | 1.1271 | Relay (... Calculated Property | |
| ΔfG° | -85.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -967.52 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 69.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 120.56 | kJ/mol | Relay (... Calculated Property |
| IE | 9.31 | eV | Relay (... Calculated Property |
| log10WS | -7.25 | Relay (... Calculated Property | |
| logPoct/wat | 7.772 | Crippen Calculated Property | |
| McVol | 411.660 | ml/mol | McGowan Calculated Property |
| Pc | 755.57 | kPa | Joback Calculated Property |
| Inp | [3722.00; 3722.00] |
|
|
| Inp | 3722.00 | NIST | |
| Inp | 3722.00 | NIST | |
| Tboil | 655.06 | K | Relay (... Calculated Property |
| Tc | 842.06 | K | Relay (... Calculated Property |
| Tfus | 292.27 | K | Relay (... Calculated Property |
| Vc | 1.529 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1419.28; 1514.38] | J/mol×K | [1000.74; 1230.70] |
|
| Cp,gas | 1419.28 | J/mol×K | 1000.74 | Joback Calculated Property |
| Cp,gas | 1439.46 | J/mol×K | 1039.07 | Joback Calculated Property |
| Cp,gas | 1457.84 | J/mol×K | 1077.39 | Joback Calculated Property |
| Cp,gas | 1474.46 | J/mol×K | 1115.72 | Joback Calculated Property |
| Cp,gas | 1489.39 | J/mol×K | 1154.05 | Joback Calculated Property |
| Cp,gas | 1502.67 | J/mol×K | 1192.37 | Joback Calculated Property |
| Cp,gas | 1514.38 | J/mol×K | 1230.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2-methyloct-5-yn-4-yl tetradecyl ester.
Sources
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