- InChI
- InChI=1S/C22H32O4/c1-17(2)8-7-14-25-21(23)19-11-6-12-20(16-19)22(24)26-15-13-18-9-4-3-5-10-18/h6,11-12,16-18H,3-5,7-10,13-15H2,1-2H3
- InChI Key
- UYBHQHCBHFHDKN-UHFFFAOYSA-N
- Formula
- C22H32O4
- SMILES
-
CC(C)CCCOC(=O)c1cccc(C(=O)OCCC
2CCCCC2)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° | -208.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -712.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.86 | kJ/mol | Joback Calculated Property |
| log10WS | -6.39 | Crippen Calculated Property | |
| logPoct/wat | 5.407 | Crippen Calculated Property | |
| McVol | 301.100 | ml/mol | McGowan Calculated Property |
| Pc | 1362.64 | kPa | Joback Calculated Property |
| Inp | [2797.00; 2797.00] |
|
|
| Inp | 2797.00 | NIST | |
| Inp | 2797.00 | NIST | |
| Tboil | 906.11 | K | Joback Calculated Property |
| Tc | 1126.08 | K | Joback Calculated Property |
| Tfus | 513.34 | K | Joback Calculated Property |
| Vc | 1.135 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [993.13; 1071.99] | J/mol×K | [906.11; 1126.08] |
|
| Cp,gas | 993.13 | J/mol×K | 906.11 | Joback Calculated Property |
| Cp,gas | 1010.08 | J/mol×K | 942.77 | Joback Calculated Property |
| Cp,gas | 1025.46 | J/mol×K | 979.43 | Joback Calculated Property |
| Cp,gas | 1039.30 | J/mol×K | 1016.09 | Joback Calculated Property |
| Cp,gas | 1051.65 | J/mol×K | 1052.75 | Joback Calculated Property |
| Cp,gas | 1062.53 | J/mol×K | 1089.41 | Joback Calculated Property |
| Cp,gas | 1071.99 | J/mol×K | 1126.08 | Joback Calculated Property |
| η | [0.0000389; 0.0006115] | Pa×s | [513.34; 906.11] |
|
| η | 0.0006115 | Pa×s | 513.34 | Joback Calculated Property |
| η | 0.0002980 | Pa×s | 578.80 | Joback Calculated Property |
| η | 0.0001681 | Pa×s | 644.26 | Joback Calculated Property |
| η | 0.0001053 | Pa×s | 709.72 | Joback Calculated Property |
| η | 0.0000714 | Pa×s | 775.19 | Joback Calculated Property |
| η | 0.0000515 | Pa×s | 840.65 | Joback Calculated Property |
| η | 0.0000389 | Pa×s | 906.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 2-cyclohexylethyl isohexyl ester.
Sources
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