- InChI
- InChI=1S/C18H23ClO4/c1-2-10-22-17(20)13-7-5-8-14(11-13)18(21)23-12-15-6-3-4-9-16(15)19/h5,7-8,11,15-16H,2-4,6,9-10,12H2,1H3
- InChI Key
- DBSSYZFDKJBEGH-UHFFFAOYSA-N
- Formula
- C18H23ClO4
- SMILES
-
CCCOC(=O)c1cccc(C(=O)OCC2CCCCC
2Cl)c1 - Molecular Weight1
- 338.83
- 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).
- 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° | -259.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -661.15 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.42 | kJ/mol | Joback Calculated Property |
| log10WS | -5.22 | Crippen Calculated Property | |
| logPoct/wat | 4.208 | Crippen Calculated Property | |
| McVol | 256.980 | ml/mol | McGowan Calculated Property |
| Pc | 1731.78 | kPa | Joback Calculated Property |
| Tboil | 847.79 | K | Joback Calculated Property |
| Tc | 1074.08 | K | Joback Calculated Property |
| Tfus | 508.94 | K | Joback Calculated Property |
| Vc | 0.965 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [786.53; 859.58] | J/mol×K | [847.79; 1074.08] | 
|
| Cp,gas | 786.53 | J/mol×K | 847.79 | Joback Calculated Property |
| Cp,gas | 802.40 | J/mol×K | 885.51 | Joback Calculated Property |
| Cp,gas | 816.77 | J/mol×K | 923.22 | Joback Calculated Property |
| Cp,gas | 829.65 | J/mol×K | 960.94 | Joback Calculated Property |
| Cp,gas | 841.06 | J/mol×K | 998.65 | Joback Calculated Property |
| Cp,gas | 851.03 | J/mol×K | 1036.37 | Joback Calculated Property |
| Cp,gas | 859.58 | J/mol×K | 1074.08 | Joback Calculated Property |
| η | [0.0000842; 0.0007421] | Pa×s | [508.94; 847.79] |
|
| η | 0.0007421 | Pa×s | 508.94 | Joback Calculated Property |
| η | 0.0004307 | Pa×s | 565.41 | Joback Calculated Property |
| η | 0.0002760 | Pa×s | 621.89 | Joback Calculated Property |
| η | 0.0001904 | Pa×s | 678.37 | Joback Calculated Property |
| η | 0.0001391 | Pa×s | 734.84 | Joback Calculated Property |
| η | 0.0001063 | Pa×s | 791.32 | Joback Calculated Property |
| η | 0.0000842 | Pa×s | 847.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, (2-chlorocyclohexyl)methyl propyl ester.
Sources
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