- InChI
- InChI=1S/C27H40O5/c1-4-5-6-7-8-9-10-11-12-13-16-22-30-26(28)20-17-21-27(29)32-25-19-15-14-18-24(25)31-23(2)3/h14-15,18-19,23H,4-12,17,20-22H2,1-3H3
- InChI Key
- OHACZWSVEKKENW-UHFFFAOYSA-N
- Formula
- C27H40O5
- SMILES
-
CCCCCCCCCCC#CCOC(=O)CCCC(=O)Oc
1ccccc1OC(C)C - Molecular Weight1
- 444.60
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -93.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -730.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 65.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.12 | kJ/mol | Joback Calculated Property |
| log10WS | -8.21 | Crippen Calculated Property | |
| logPoct/wat | 6.627 | Crippen Calculated Property | |
| McVol | 379.680 | ml/mol | McGowan Calculated Property |
| Pc | 946.16 | kPa | Joback Calculated Property |
| Inp | 3173.00 | NIST | |
| Tboil | 1032.38 | K | Joback Calculated Property |
| Tc | 1264.21 | K | Joback Calculated Property |
| Tfus | 690.64 | K | Joback Calculated Property |
| Vc | 1.462 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1277.96; 1343.59] | J/mol×K | [1032.38; 1264.21] | 
|
| Cp,gas | 1277.96 | J/mol×K | 1032.38 | Joback Calculated Property |
| Cp,gas | 1293.30 | J/mol×K | 1071.02 | Joback Calculated Property |
| Cp,gas | 1306.84 | J/mol×K | 1109.66 | Joback Calculated Property |
| Cp,gas | 1318.60 | J/mol×K | 1148.30 | Joback Calculated Property |
| Cp,gas | 1328.62 | J/mol×K | 1186.94 | Joback Calculated Property |
| Cp,gas | 1336.94 | J/mol×K | 1225.57 | Joback Calculated Property |
| Cp,gas | 1343.59 | J/mol×K | 1264.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, tridec-2-yn-1-yl 2-isopropoxyphenyl ester.
Sources
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