- InChI
- InChI=1S/C26H38O4/c1-2-3-4-5-6-7-8-9-10-11-15-22-29-25(27)19-16-20-26(28)30-23-21-24-17-13-12-14-18-24/h12-14,17-18H,2-10,16,19-23H2,1H3
- InChI Key
- YYUNKNKPUUJGSE-UHFFFAOYSA-N
- Formula
- C26H38O4
- SMILES
-
CCCCCCCCCCC#CCOC(=O)CCCC(=O)OC
Cc1ccccc1 - 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 | 1.0724 | Relay (1.0) Calculated Property | |
| ΔfG° | 15.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -669.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 65.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 126.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.59 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.020 | Crippen Calculated Property | |
| McVol | 359.720 | ml/mol | McGowan Calculated Property |
| Pc | 1020.08 | kPa | Joback Calculated Property |
| Inp | [3098.00; 3098.00] |
|
|
| Inp | 3098.00 | NIST | |
| Inp | 3098.00 | NIST | |
| Tboil | 683.75 | K | Relay (1.0) Calculated Property |
| Tc | 884.93 | K | Relay (1.0) Calculated Property |
| Tfus | 296.30 | K | Relay (1.0) Calculated Property |
| Vc | 1.319 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1188.11; 1265.93] | J/mol×K | [982.54; 1203.28] |
|
| Cp,gas | 1188.11 | J/mol×K | 982.54 | Joback Calculated Property |
| Cp,gas | 1204.53 | J/mol×K | 1019.33 | Joback Calculated Property |
| Cp,gas | 1219.50 | J/mol×K | 1056.12 | Joback Calculated Property |
| Cp,gas | 1233.07 | J/mol×K | 1092.91 | Joback Calculated Property |
| Cp,gas | 1245.30 | J/mol×K | 1129.70 | Joback Calculated Property |
| Cp,gas | 1256.23 | J/mol×K | 1166.49 | Joback Calculated Property |
| Cp,gas | 1265.93 | J/mol×K | 1203.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, tridec-2-yn-1-yl phenethyl ester.
Sources
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