- InChI
- InChI=1S/C23H30O4/c1-6-7-8-14-26-22(24)19-10-9-11-20(16-19)23(25)27-21(15-18(4)5)13-12-17(2)3/h9-11,16,18,21H,2,6-8,14-15H2,1,3-5H3
- InChI Key
- SVMQKZQUVJPWMH-UHFFFAOYSA-N
- Formula
- C23H30O4
- SMILES
-
C=C(C)C#CC(CC(C)C)OC(=O)c1cccc
(C(=O)OCCCCC)c1 - Molecular Weight1
- 370.48
- 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° | 54.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -405.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.83 | kJ/mol | Joback Calculated Property |
| log10WS | -6.92 | Crippen Calculated Property | |
| logPoct/wat | 5.185 | Crippen Calculated Property | |
| McVol | 313.150 | ml/mol | McGowan Calculated Property |
| Pc | 1280.08 | kPa | Joback Calculated Property |
| Inp | [2610.00; 2610.00] |
|
|
| Inp | 2610.00 | NIST | |
| Inp | 2610.00 | NIST | |
| Tboil | 914.56 | K | Joback Calculated Property |
| Tc | 1133.78 | K | Joback Calculated Property |
| Tfus | 592.61 | K | Joback Calculated Property |
| Vc | 1.196 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [975.88; 1051.17] | J/mol×K | [914.56; 1133.78] |
|
| Cp,gas | 975.88 | J/mol×K | 914.56 | Joback Calculated Property |
| Cp,gas | 991.59 | J/mol×K | 951.10 | Joback Calculated Property |
| Cp,gas | 1005.98 | J/mol×K | 987.63 | Joback Calculated Property |
| Cp,gas | 1019.10 | J/mol×K | 1024.17 | Joback Calculated Property |
| Cp,gas | 1030.98 | J/mol×K | 1060.71 | Joback Calculated Property |
| Cp,gas | 1041.66 | J/mol×K | 1097.24 | Joback Calculated Property |
| Cp,gas | 1051.17 | J/mol×K | 1133.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 2,7-dimethyloct-7-en-5-yn-4-yl pentyl ester.
Sources
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