- InChI
- InChI=1S/C23H34O4/c1-2-3-4-5-9-16-26-22(24)20-13-10-14-21(18-20)23(25)27-17-15-19-11-7-6-8-12-19/h10,13-14,18-19H,2-9,11-12,15-17H2,1H3
- InChI Key
- UCVSVXWJYXTQLO-UHFFFAOYSA-N
- Formula
- C23H34O4
- SMILES
-
CCCCCCCOC(=O)c1cccc(C(=O)OCCC2
CCCCC2)c1 - Molecular Weight1
- 374.51
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | -197.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -728.27 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.47 | kJ/mol | Joback Calculated Property |
| log10WS | -7.05 | Crippen Calculated Property | |
| logPoct/wat | 5.941 | Crippen Calculated Property | |
| McVol | 315.190 | ml/mol | McGowan Calculated Property |
| Pc | 1263.75 | kPa | Joback Calculated Property |
| Inp | [2959.00; 2959.00] |
|
|
| Inp | 2959.00 | NIST | |
| Inp | 2959.00 | NIST | |
| Tboil | 929.43 | K | Joback Calculated Property |
| Tc | 1147.80 | K | Joback Calculated Property |
| Tfus | 539.61 | K | Joback Calculated Property |
| Vc | 1.196 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1053.39; 1131.26] | J/mol×K | [929.43; 1147.80] |
|
| Cp,gas | 1053.39 | J/mol×K | 929.43 | Joback Calculated Property |
| Cp,gas | 1070.16 | J/mol×K | 965.82 | Joback Calculated Property |
| Cp,gas | 1085.35 | J/mol×K | 1002.22 | Joback Calculated Property |
| Cp,gas | 1099.02 | J/mol×K | 1038.61 | Joback Calculated Property |
| Cp,gas | 1111.19 | J/mol×K | 1075.01 | Joback Calculated Property |
| Cp,gas | 1121.93 | J/mol×K | 1111.40 | Joback Calculated Property |
| Cp,gas | 1131.26 | J/mol×K | 1147.80 | Joback Calculated Property |
| η | [0.0000368; 0.0004850] | Pa×s | [539.61; 929.43] |
|
| η | 0.0004850 | Pa×s | 539.61 | Joback Calculated Property |
| η | 0.0002504 | Pa×s | 604.58 | Joback Calculated Property |
| η | 0.0001470 | Pa×s | 669.55 | Joback Calculated Property |
| η | 0.0000948 | Pa×s | 734.52 | Joback Calculated Property |
| η | 0.0000657 | Pa×s | 799.49 | Joback Calculated Property |
| η | 0.0000481 | Pa×s | 864.46 | Joback Calculated Property |
| η | 0.0000368 | Pa×s | 929.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 2-cyclohexylethyl heptyl ester.
Sources
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