- InChI
- InChI=1S/C22H31ClO4/c1-2-3-4-5-8-14-26-21(24)17-11-9-12-18(15-17)22(25)27-16-19-10-6-7-13-20(19)23/h9,11-12,15,19-20H,2-8,10,13-14,16H2,1H3
- InChI Key
- IHEFHSFJEJWNKH-UHFFFAOYSA-N
- Formula
- C22H31ClO4
- SMILES
-
CCCCCCCOC(=O)c1cccc(C(=O)OCC2C
CCCC2Cl)c1 - Molecular Weight1
- 394.93
- 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° | -225.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -743.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.32 | kJ/mol | Joback Calculated Property |
| log10WS | -6.90 | Crippen Calculated Property | |
| logPoct/wat | 5.768 | Crippen Calculated Property | |
| McVol | 313.340 | ml/mol | McGowan Calculated Property |
| Pc | 1287.44 | kPa | Joback Calculated Property |
| Inp | [3087.00; 3087.00] |
|
|
| Inp | 3087.00 | NIST | |
| Inp | 3087.00 | NIST | |
| Tboil | 939.31 | K | Joback Calculated Property |
| Tc | 1161.55 | K | Joback Calculated Property |
| Tfus | 554.02 | K | Joback Calculated Property |
| Vc | 1.188 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1023.20; 1092.82] | J/mol×K | [939.31; 1161.55] |
|
| Cp,gas | 1023.20 | J/mol×K | 939.31 | Joback Calculated Property |
| Cp,gas | 1038.74 | J/mol×K | 976.35 | Joback Calculated Property |
| Cp,gas | 1052.65 | J/mol×K | 1013.39 | Joback Calculated Property |
| Cp,gas | 1064.98 | J/mol×K | 1050.43 | Joback Calculated Property |
| Cp,gas | 1075.76 | J/mol×K | 1087.47 | Joback Calculated Property |
| Cp,gas | 1085.03 | J/mol×K | 1124.51 | Joback Calculated Property |
| Cp,gas | 1092.82 | J/mol×K | 1161.55 | Joback Calculated Property |
| η | [0.0000481; 0.0004944] | Pa×s | [554.02; 939.31] |
|
| η | 0.0004944 | Pa×s | 554.02 | Joback Calculated Property |
| η | 0.0002740 | Pa×s | 618.24 | Joback Calculated Property |
| η | 0.0001697 | Pa×s | 682.45 | Joback Calculated Property |
| η | 0.0001141 | Pa×s | 746.66 | Joback Calculated Property |
| η | 0.0000817 | Pa×s | 810.88 | Joback Calculated Property |
| η | 0.0000615 | Pa×s | 875.09 | Joback Calculated Property |
| η | 0.0000481 | Pa×s | 939.31 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, (2-chlorocyclohexyl)methyl heptyl ester.
Sources
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