- InChI
- InChI=1S/C22H32O4/c1-2-3-4-8-15-25-21(23)19-12-9-13-20(17-19)22(24)26-16-14-18-10-6-5-7-11-18/h9,12-13,17-18H,2-8,10-11,14-16H2,1H3
- InChI Key
- DKHROGNZAUISSX-UHFFFAOYSA-N
- Formula
- C22H32O4
- SMILES
-
CCCCCCOC(=O)c1cccc(C(=O)OCCC2C
CCCC2)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° | -206.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -707.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.24 | kJ/mol | Joback Calculated Property |
| log10WS | -6.63 | Crippen Calculated Property | |
| logPoct/wat | 5.551 | Crippen Calculated Property | |
| McVol | 301.100 | ml/mol | McGowan Calculated Property |
| Pc | 1354.63 | kPa | Joback Calculated Property |
| Inp | [2844.00; 2844.00] |
|
|
| Inp | 2844.00 | NIST | |
| Inp | 2844.00 | NIST | |
| Tboil | 906.55 | K | Joback Calculated Property |
| Tc | 1124.45 | K | Joback Calculated Property |
| Tfus | 528.34 | K | Joback Calculated Property |
| Vc | 1.141 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [992.66; 1071.38] | J/mol×K | [906.55; 1124.45] |
|
| Cp,gas | 992.66 | J/mol×K | 906.55 | Joback Calculated Property |
| Cp,gas | 1009.49 | J/mol×K | 942.87 | Joback Calculated Property |
| Cp,gas | 1024.79 | J/mol×K | 979.18 | Joback Calculated Property |
| Cp,gas | 1038.59 | J/mol×K | 1015.50 | Joback Calculated Property |
| Cp,gas | 1050.93 | J/mol×K | 1051.82 | Joback Calculated Property |
| Cp,gas | 1061.85 | J/mol×K | 1088.13 | Joback Calculated Property |
| Cp,gas | 1071.38 | J/mol×K | 1124.45 | Joback Calculated Property |
| η | [0.0000426; 0.0005434] | Pa×s | [528.34; 906.55] |
|
| η | 0.0005434 | Pa×s | 528.34 | Joback Calculated Property |
| η | 0.0002835 | Pa×s | 591.37 | Joback Calculated Property |
| η | 0.0001677 | Pa×s | 654.41 | Joback Calculated Property |
| η | 0.0001087 | Pa×s | 717.44 | Joback Calculated Property |
| η | 0.0000756 | Pa×s | 780.48 | Joback Calculated Property |
| η | 0.0000555 | Pa×s | 843.51 | Joback Calculated Property |
| η | 0.0000426 | Pa×s | 906.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 2-cyclohexylethyl hexyl ester.
Sources
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