- InChI
- InChI=1S/C27H42O4/c1-5-6-7-8-9-10-11-19-30-25(28)21-13-12-14-22(20-21)26(29)31-24-17-15-23(16-18-24)27(2,3)4/h12-14,20,23-24H,5-11,15-19H2,1-4H3
- InChI Key
- SHJCJMZDTBDSCM-UHFFFAOYSA-N
- Formula
- C27H42O4
- SMILES
-
CCCCCCCCCOC(=O)c1cccc(C(=O)OC2
CCC(C(C)(C)C)CC2)c1 - Molecular Weight1
- 430.62
- 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° | -169.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -839.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.77 | kJ/mol | Joback Calculated Property |
| log10WS | -8.60 | Crippen Calculated Property | |
| logPoct/wat | 7.356 | Crippen Calculated Property | |
| McVol | 371.550 | ml/mol | McGowan Calculated Property |
| Pc | 969.88 | kPa | Joback Calculated Property |
| Inp | [3233.00; 3233.00] |
|
|
| Inp | 3233.00 | NIST | |
| Inp | 3233.00 | NIST | |
| Tboil | 1013.05 | K | Joback Calculated Property |
| Tc | 1241.89 | K | Joback Calculated Property |
| Tfus | 582.87 | K | Joback Calculated Property |
| Vc | 1.409 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1305.17; 1382.07] | J/mol×K | [1013.05; 1241.89] |
|
| Cp,gas | 1305.17 | J/mol×K | 1013.05 | Joback Calculated Property |
| Cp,gas | 1322.10 | J/mol×K | 1051.19 | Joback Calculated Property |
| Cp,gas | 1337.28 | J/mol×K | 1089.33 | Joback Calculated Property |
| Cp,gas | 1350.79 | J/mol×K | 1127.47 | Joback Calculated Property |
| Cp,gas | 1362.70 | J/mol×K | 1165.61 | Joback Calculated Property |
| Cp,gas | 1373.10 | J/mol×K | 1203.75 | Joback Calculated Property |
| Cp,gas | 1382.07 | J/mol×K | 1241.89 | Joback Calculated Property |
| η | [0.0000203; 0.0002989] | Pa×s | [582.87; 1013.05] |
|
| η | 0.0002989 | Pa×s | 582.87 | Joback Calculated Property |
| η | 0.0001494 | Pa×s | 654.57 | Joback Calculated Property |
| η | 0.0000857 | Pa×s | 726.26 | Joback Calculated Property |
| η | 0.0000543 | Pa×s | 797.96 | Joback Calculated Property |
| η | 0.0000371 | Pa×s | 869.66 | Joback Calculated Property |
| η | 0.0000268 | Pa×s | 941.35 | Joback Calculated Property |
| η | 0.0000203 | Pa×s | 1013.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, nonyl 4-tert-butylcyclohexyl ester.
Sources
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