- InChI
- InChI=1S/C26H40O4/c1-5-6-7-8-9-10-18-29-24(27)20-12-11-13-21(19-20)25(28)30-23-16-14-22(15-17-23)26(2,3)4/h11-13,19,22-23H,5-10,14-18H2,1-4H3
- InChI Key
- FEGDZDGBNXUQAY-UHFFFAOYSA-N
- Formula
- C26H40O4
- SMILES
-
CCCCCCCCOC(=O)c1cccc(C(=O)OC2C
CC(C(C)(C)C)CC2)c1 - Molecular Weight1
- 416.59
- 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° | -177.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -819.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.54 | kJ/mol | Joback Calculated Property |
| log10WS | -8.18 | Crippen Calculated Property | |
| logPoct/wat | 6.966 | Crippen Calculated Property | |
| McVol | 357.460 | ml/mol | McGowan Calculated Property |
| Pc | 1030.59 | kPa | Joback Calculated Property |
| Inp | [3131.00; 3131.00] |
|
|
| Inp | 3131.00 | NIST | |
| Inp | 3131.00 | NIST | |
| Tboil | 990.17 | K | Joback Calculated Property |
| Tc | 1216.23 | K | Joback Calculated Property |
| Tfus | 571.60 | K | Joback Calculated Property |
| Vc | 1.353 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1242.76; 1320.62] | J/mol×K | [990.17; 1216.23] |
|
| Cp,gas | 1242.76 | J/mol×K | 990.17 | Joback Calculated Property |
| Cp,gas | 1259.76 | J/mol×K | 1027.85 | Joback Calculated Property |
| Cp,gas | 1275.06 | J/mol×K | 1065.52 | Joback Calculated Property |
| Cp,gas | 1288.72 | J/mol×K | 1103.20 | Joback Calculated Property |
| Cp,gas | 1300.81 | J/mol×K | 1140.87 | Joback Calculated Property |
| Cp,gas | 1311.42 | J/mol×K | 1178.55 | Joback Calculated Property |
| Cp,gas | 1320.62 | J/mol×K | 1216.23 | Joback Calculated Property |
| η | [0.0000238; 0.0003390] | Pa×s | [571.60; 990.17] |
|
| η | 0.0003390 | Pa×s | 571.60 | Joback Calculated Property |
| η | 0.0001711 | Pa×s | 641.36 | Joback Calculated Property |
| η | 0.0000987 | Pa×s | 711.12 | Joback Calculated Property |
| η | 0.0000628 | Pa×s | 780.88 | Joback Calculated Property |
| η | 0.0000431 | Pa×s | 850.65 | Joback Calculated Property |
| η | 0.0000313 | Pa×s | 920.41 | Joback Calculated Property |
| η | 0.0000238 | Pa×s | 990.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, octyl 4-tert-butylcyclohexyl ester.
Sources
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