- InChI
- InChI=1S/C20H28O4/c1-15(2)14-24-20(22)18-10-6-9-17(13-18)19(21)23-12-11-16-7-4-3-5-8-16/h6,9-10,13,15-16H,3-5,7-8,11-12,14H2,1-2H3
- InChI Key
- ASITXOKUHAKVLW-UHFFFAOYSA-N
- Formula
- C20H28O4
- SMILES
-
CC(C)COC(=O)c1cccc(C(=O)OCCC2C
CCCC2)c1 - Molecular Weight1
- 332.43
- 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° | -225.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -671.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.41 | kJ/mol | Joback Calculated Property |
| log10WS | -5.55 | Crippen Calculated Property | |
| logPoct/wat | 4.627 | Crippen Calculated Property | |
| McVol | 272.920 | ml/mol | McGowan Calculated Property |
| Pc | 1578.46 | kPa | Joback Calculated Property |
| Inp | [2589.00; 2589.00] |
|
|
| Inp | 2589.00 | NIST | |
| Inp | 2589.00 | NIST | |
| Tboil | 860.35 | K | Joback Calculated Property |
| Tc | 1082.33 | K | Joback Calculated Property |
| Tfus | 490.80 | K | Joback Calculated Property |
| Vc | 1.022 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [873.42; 953.99] | J/mol×K | [860.35; 1082.33] |
|
| Cp,gas | 873.42 | J/mol×K | 860.35 | Joback Calculated Property |
| Cp,gas | 890.57 | J/mol×K | 897.35 | Joback Calculated Property |
| Cp,gas | 906.19 | J/mol×K | 934.34 | Joback Calculated Property |
| Cp,gas | 920.31 | J/mol×K | 971.34 | Joback Calculated Property |
| Cp,gas | 932.96 | J/mol×K | 1008.34 | Joback Calculated Property |
| Cp,gas | 944.18 | J/mol×K | 1045.34 | Joback Calculated Property |
| Cp,gas | 953.99 | J/mol×K | 1082.33 | Joback Calculated Property |
| η | [0.0000520; 0.0007660] | Pa×s | [490.80; 860.35] |
|
| η | 0.0007660 | Pa×s | 490.80 | Joback Calculated Property |
| η | 0.0003810 | Pa×s | 552.39 | Joback Calculated Property |
| η | 0.0002180 | Pa×s | 613.98 | Joback Calculated Property |
| η | 0.0001381 | Pa×s | 675.57 | Joback Calculated Property |
| η | 0.0000944 | Pa×s | 737.17 | Joback Calculated Property |
| η | 0.0000684 | Pa×s | 798.76 | Joback Calculated Property |
| η | 0.0000520 | Pa×s | 860.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 2-cyclohexylethyl isobutyl ester.
Sources
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