- InChI
- InChI=1S/C30H48O4/c1-5-6-7-8-9-10-11-12-13-14-22-33-28(31)24-16-15-17-25(23-24)29(32)34-27-20-18-26(19-21-27)30(2,3)4/h15-17,23,26-27H,5-14,18-22H2,1-4H3
- InChI Key
- VAIVVLATSYGNBV-UHFFFAOYSA-N
- Formula
- C30H48O4
- SMILES
-
CCCCCCCCCCCCOC(=O)c1cccc(C(=O)
OC2CCC(C(C)(C)C)CC2)c1 - Molecular Weight1
- 472.70
- 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° | -143.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -901.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 58.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.45 | kJ/mol | Joback Calculated Property |
| log10WS | -9.85 | Crippen Calculated Property | |
| logPoct/wat | 8.526 | Crippen Calculated Property | |
| McVol | 413.820 | ml/mol | McGowan Calculated Property |
| Pc | 816.79 | kPa | Joback Calculated Property |
| Inp | [3548.00; 3548.00] |
|
|
| Inp | 3548.00 | NIST | |
| Inp | 3548.00 | NIST | |
| Tboil | 1081.69 | K | Joback Calculated Property |
| Tc | 1325.22 | K | Joback Calculated Property |
| Tfus | 616.68 | K | Joback Calculated Property |
| Vc | 1.577 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1494.16; 1568.47] | J/mol×K | [1081.69; 1325.22] |
|
| Cp,gas | 1494.16 | J/mol×K | 1081.69 | Joback Calculated Property |
| Cp,gas | 1511.08 | J/mol×K | 1122.28 | Joback Calculated Property |
| Cp,gas | 1526.04 | J/mol×K | 1162.87 | Joback Calculated Property |
| Cp,gas | 1539.15 | J/mol×K | 1203.45 | Joback Calculated Property |
| Cp,gas | 1550.51 | J/mol×K | 1244.04 | Joback Calculated Property |
| Cp,gas | 1560.25 | J/mol×K | 1284.63 | Joback Calculated Property |
| Cp,gas | 1568.47 | J/mol×K | 1325.22 | Joback Calculated Property |
| η | [0.0000127; 0.0002018] | Pa×s | [616.68; 1081.69] |
|
| η | 0.0002018 | Pa×s | 616.68 | Joback Calculated Property |
| η | 0.0000983 | Pa×s | 694.18 | Joback Calculated Property |
| η | 0.0000554 | Pa×s | 771.68 | Joback Calculated Property |
| η | 0.0000346 | Pa×s | 849.18 | Joback Calculated Property |
| η | 0.0000234 | Pa×s | 926.69 | Joback Calculated Property |
| η | 0.0000168 | Pa×s | 1004.19 | Joback Calculated Property |
| η | 0.0000127 | Pa×s | 1081.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, dodecyl 4-tert-butylcyclohexyl ester.
Sources
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