- InChI
- InChI=1S/C22H32O4/c1-15(2)14-25-20(23)16-7-6-8-17(13-16)21(24)26-19-11-9-18(10-12-19)22(3,4)5/h6-8,13,15,18-19H,9-12,14H2,1-5H3
- InChI Key
- MWRZDQZBCICQPL-UHFFFAOYSA-N
- Formula
- C22H32O4
- SMILES
-
CC(C)COC(=O)c1cccc(C(=O)OC2CCC
(C(C)(C)C)CC2)c1 - Molecular Weight1
- 360.49
- 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° | -213.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -742.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.25 | kJ/mol | Joback Calculated Property |
| log10WS | -6.26 | Crippen Calculated Property | |
| logPoct/wat | 5.261 | Crippen Calculated Property | |
| McVol | 301.100 | ml/mol | McGowan Calculated Property |
| Pc | 1348.67 | kPa | Joback Calculated Property |
| Inp | [2665.00; 2665.00] |
|
|
| Inp | 2665.00 | NIST | |
| Inp | 2665.00 | NIST | |
| Tboil | 898.21 | K | Joback Calculated Property |
| Tc | 1124.61 | K | Joback Calculated Property |
| Tfus | 511.52 | K | Joback Calculated Property |
| Vc | 1.123 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [997.73; 1079.78] | J/mol×K | [898.21; 1124.61] |
|
| Cp,gas | 997.73 | J/mol×K | 898.21 | Joback Calculated Property |
| Cp,gas | 1015.37 | J/mol×K | 935.94 | Joback Calculated Property |
| Cp,gas | 1031.35 | J/mol×K | 973.68 | Joback Calculated Property |
| Cp,gas | 1045.72 | J/mol×K | 1011.41 | Joback Calculated Property |
| Cp,gas | 1058.55 | J/mol×K | 1049.14 | Joback Calculated Property |
| Cp,gas | 1069.88 | J/mol×K | 1086.87 | Joback Calculated Property |
| Cp,gas | 1079.78 | J/mol×K | 1124.61 | Joback Calculated Property |
| η | [0.0000396; 0.0006137] | Pa×s | [511.52; 898.21] |
|
| η | 0.0006137 | Pa×s | 511.52 | Joback Calculated Property |
| η | 0.0003011 | Pa×s | 575.97 | Joback Calculated Property |
| η | 0.0001705 | Pa×s | 640.42 | Joback Calculated Property |
| η | 0.0001071 | Pa×s | 704.87 | Joback Calculated Property |
| η | 0.0000727 | Pa×s | 769.31 | Joback Calculated Property |
| η | 0.0000524 | Pa×s | 833.76 | Joback Calculated Property |
| η | 0.0000396 | Pa×s | 898.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, isobutyl 4-tert-butylcyclohexyl ester.
Sources
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