- InChI
- InChI=1S/C21H29ClO4/c1-15(2)7-6-12-25-20(23)16-9-5-10-17(13-16)21(24)26-14-18-8-3-4-11-19(18)22/h5,9-10,13,15,18-19H,3-4,6-8,11-12,14H2,1-2H3
- InChI Key
- ANCPDJAIGGZLQF-UHFFFAOYSA-N
- Formula
- C21H29ClO4
- SMILES
-
CC(C)CCCOC(=O)c1cccc(C(=O)OCC2
CCCCC2Cl)c1 - Molecular Weight1
- 380.91
- 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° | -236.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -728.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.71 | kJ/mol | Joback Calculated Property |
| log10WS | -6.24 | Crippen Calculated Property | |
| logPoct/wat | 5.234 | Crippen Calculated Property | |
| McVol | 299.250 | ml/mol | McGowan Calculated Property |
| Pc | 1389.18 | kPa | Joback Calculated Property |
| Inp | [2927.00; 2927.00] |
|
|
| Inp | 2927.00 | NIST | |
| Inp | 2927.00 | NIST | |
| Tboil | 915.99 | K | Joback Calculated Property |
| Tc | 1140.34 | K | Joback Calculated Property |
| Tfus | 527.75 | K | Joback Calculated Property |
| Vc | 1.127 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [963.64; 1034.38] | J/mol×K | [915.99; 1140.34] |
|
| Cp,gas | 963.64 | J/mol×K | 915.99 | Joback Calculated Property |
| Cp,gas | 979.39 | J/mol×K | 953.38 | Joback Calculated Property |
| Cp,gas | 993.52 | J/mol×K | 990.77 | Joback Calculated Property |
| Cp,gas | 1006.05 | J/mol×K | 1028.17 | Joback Calculated Property |
| Cp,gas | 1017.01 | J/mol×K | 1065.56 | Joback Calculated Property |
| Cp,gas | 1026.44 | J/mol×K | 1102.95 | Joback Calculated Property |
| Cp,gas | 1034.38 | J/mol×K | 1140.34 | Joback Calculated Property |
| η | [0.0000506; 0.0006069] | Pa×s | [527.75; 915.99] |
|
| η | 0.0006069 | Pa×s | 527.75 | Joback Calculated Property |
| η | 0.0003200 | Pa×s | 592.46 | Joback Calculated Property |
| η | 0.0001914 | Pa×s | 657.16 | Joback Calculated Property |
| η | 0.0001256 | Pa×s | 721.87 | Joback Calculated Property |
| η | 0.0000883 | Pa×s | 786.58 | Joback Calculated Property |
| η | 0.0000655 | Pa×s | 851.28 | Joback Calculated Property |
| η | 0.0000506 | Pa×s | 915.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, (2-chlorocyclohexyl)methyl isohexyl ester.
Sources
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