- InChI
- InChI=1S/C24H42O4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-21-27-23(25)19-18-20-24(26)28-22(3)5-2/h2,22H,4,6-21H2,1,3H3
- InChI Key
- FLQMUBQZMHUAIZ-UHFFFAOYSA-N
- Formula
- C24H42O4
- SMILES
-
C#CC(C)OC(=O)CCCC(=O)OCCCCCCCC
CCCCCCC - Molecular Weight1
- 394.59
- 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 | 1.0616 | Relay (1.0) Calculated Property | |
| ΔfG° | -96.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -899.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 62.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.356 | Crippen Calculated Property | |
| McVol | 355.300 | ml/mol | McGowan Calculated Property |
| Pc | 932.92 | kPa | Joback Calculated Property |
| Inp | 2722.00 | NIST | |
| Tboil | 646.43 | K | Relay (1.0) Calculated Property |
| Tc | 817.49 | K | Relay (1.0) Calculated Property |
| Tfus | 323.52 | K | Relay (1.0) Calculated Property |
| Vc | 1.333 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1158.20; 1253.24] | J/mol×K | [890.78; 1090.57] | 
|
| Cp,gas | 1158.20 | J/mol×K | 890.78 | Joback Calculated Property |
| Cp,gas | 1177.05 | J/mol×K | 924.08 | Joback Calculated Property |
| Cp,gas | 1194.65 | J/mol×K | 957.38 | Joback Calculated Property |
| Cp,gas | 1211.03 | J/mol×K | 990.68 | Joback Calculated Property |
| Cp,gas | 1226.24 | J/mol×K | 1023.97 | Joback Calculated Property |
| Cp,gas | 1240.29 | J/mol×K | 1057.27 | Joback Calculated Property |
| Cp,gas | 1253.24 | J/mol×K | 1090.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, but-3-yn-2-yl pentadecyl ester.
Sources
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