- InChI
- InChI=1S/C25H44O4/c1-6-7-8-9-10-11-12-13-14-15-16-20-28-23(26)18-17-19-24(27)29-25(21(2)3)22(4)5/h21-22,25H,6-14,17-20H2,1-5H3
- InChI Key
- YQNNWTVICNHAMJ-UHFFFAOYSA-N
- Formula
- C25H44O4
- SMILES
-
CCCCCCCCCCC#CCOC(=O)CCCC(=O)OC
(C(C)C)C(C)C - Molecular Weight1
- 408.61
- 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 | 1.0099 | Relay (... Calculated Property | |
| ΔfG° | -112.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -913.57 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 58.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.60 | kJ/mol | Relay (... Calculated Property |
| IE | 9.25 | eV | Relay (... Calculated Property |
| log10WS | -6.35 | Relay (... Calculated Property | |
| logPoct/wat | 6.458 | Crippen Calculated Property | |
| McVol | 369.390 | ml/mol | McGowan Calculated Property |
| Pc | 895.34 | kPa | Joback Calculated Property |
| Inp | 2727.00 | NIST | |
| Tboil | 640.28 | K | Relay (... Calculated Property |
| Tc | 828.79 | K | Relay (... Calculated Property |
| Tfus | 278.13 | K | Relay (... Calculated Property |
| Vc | 1.341 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1228.76; 1321.51] | J/mol×K | [931.66; 1140.63] | 
|
| Cp,gas | 1228.76 | J/mol×K | 931.66 | Joback Calculated Property |
| Cp,gas | 1247.74 | J/mol×K | 966.49 | Joback Calculated Property |
| Cp,gas | 1265.27 | J/mol×K | 1001.32 | Joback Calculated Property |
| Cp,gas | 1281.37 | J/mol×K | 1036.15 | Joback Calculated Property |
| Cp,gas | 1296.09 | J/mol×K | 1070.97 | Joback Calculated Property |
| Cp,gas | 1309.46 | J/mol×K | 1105.80 | Joback Calculated Property |
| Cp,gas | 1321.51 | J/mol×K | 1140.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, tridec-2-yn-1-yl 2,4-dimethylpent-3-yl ester.
Sources
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