- InChI
- InChI=1S/C26H38O4/c1-4-5-6-7-8-9-10-11-12-13-14-21-29-25(27)19-16-20-26(28)30-24-18-15-17-22(2)23(24)3/h15,17-18H,4-12,16,19-21H2,1-3H3
- InChI Key
- SYTGAAYVSCHMHQ-UHFFFAOYSA-N
- Formula
- C26H38O4
- SMILES
-
CCCCCCCCCCC#CCOC(=O)CCCC(=O)Oc
1cccc(C)c1C - Molecular Weight1
- 414.58
- 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 | 1.0789 | Relay (1.0) Calculated Property | |
| ΔfG° | -3.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -704.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 65.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 122.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.20 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.457 | Crippen Calculated Property | |
| McVol | 359.720 | ml/mol | McGowan Calculated Property |
| Pc | 1000.81 | kPa | Joback Calculated Property |
| Inp | 3134.00 | NIST | |
| Tboil | 675.96 | K | Relay (1.0) Calculated Property |
| Tc | 897.96 | K | Relay (1.0) Calculated Property |
| Tfus | 324.04 | K | Relay (1.0) Calculated Property |
| Vc | 1.314 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1186.62; 1261.52] | J/mol×K | [992.50; 1215.37] | 
|
| Cp,gas | 1186.62 | J/mol×K | 992.50 | Joback Calculated Property |
| Cp,gas | 1202.76 | J/mol×K | 1029.64 | Joback Calculated Property |
| Cp,gas | 1217.39 | J/mol×K | 1066.79 | Joback Calculated Property |
| Cp,gas | 1230.55 | J/mol×K | 1103.93 | Joback Calculated Property |
| Cp,gas | 1242.26 | J/mol×K | 1141.08 | Joback Calculated Property |
| Cp,gas | 1252.57 | J/mol×K | 1178.22 | Joback Calculated Property |
| Cp,gas | 1261.52 | J/mol×K | 1215.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, tridec-2-yn-1-yl 2,3-dimethylphenyl ester.
Sources
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