- InChI
- InChI=1S/C28H42O4/c1-27(2,3)21-10-14-23(15-11-21)31-25(29)19-8-7-9-20(18-19)26(30)32-24-16-12-22(13-17-24)28(4,5)6/h7-9,18,21-24H,10-17H2,1-6H3
- InChI Key
- YZHAGBRAHQIVGP-UHFFFAOYSA-N
- Formula
- C28H42O4
- SMILES
-
CC(C)(C)C1CCC(OC(=O)c2cccc(C(=
O)OC3CCC(C(C)(C)C)CC3)c2)CC1 - Molecular Weight1
- 442.63
- 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° | -141.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -835.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.82 | kJ/mol | Joback Calculated Property |
| log10WS | -8.54 | Crippen Calculated Property | |
| logPoct/wat | 7.210 | Crippen Calculated Property | |
| McVol | 374.780 | ml/mol | McGowan Calculated Property |
| Pc | 1029.92 | kPa | Joback Calculated Property |
| Inp | [3332.00; 3332.00] |
|
|
| Inp | 3332.00 | NIST | |
| Inp | 3332.00 | NIST | |
| Tboil | 1047.58 | K | Joback Calculated Property |
| Tc | 1293.90 | K | Joback Calculated Property |
| Tfus | 599.70 | K | Joback Calculated Property |
| Vc | 1.385 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1365.65; 1436.19] | J/mol×K | [1047.58; 1293.90] |
|
| Cp,gas | 1365.65 | J/mol×K | 1047.58 | Joback Calculated Property |
| Cp,gas | 1382.16 | J/mol×K | 1088.63 | Joback Calculated Property |
| Cp,gas | 1396.61 | J/mol×K | 1129.69 | Joback Calculated Property |
| Cp,gas | 1409.11 | J/mol×K | 1170.74 | Joback Calculated Property |
| Cp,gas | 1419.79 | J/mol×K | 1211.79 | Joback Calculated Property |
| Cp,gas | 1428.77 | J/mol×K | 1252.84 | Joback Calculated Property |
| Cp,gas | 1436.19 | J/mol×K | 1293.90 | Joback Calculated Property |
| η | [0.0000180; 0.0002910] | Pa×s | [599.70; 1047.58] |
|
| η | 0.0002910 | Pa×s | 599.70 | Joback Calculated Property |
| η | 0.0001417 | Pa×s | 674.35 | Joback Calculated Property |
| η | 0.0000796 | Pa×s | 748.99 | Joback Calculated Property |
| η | 0.0000497 | Pa×s | 823.64 | Joback Calculated Property |
| η | 0.0000335 | Pa×s | 898.29 | Joback Calculated Property |
| η | 0.0000240 | Pa×s | 972.93 | Joback Calculated Property |
| η | 0.0000180 | Pa×s | 1047.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, di(4-tert-butylcyclohexyl) ester.
Sources
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