- InChI
- InChI=1S/C17H23ClO4/c1-12(2)6-5-9-21-16(19)14-7-4-8-15(10-14)17(20)22-11-13(3)18/h4,7-8,10,12-13H,5-6,9,11H2,1-3H3
- InChI Key
- MNSSVASRGLFGDM-UHFFFAOYSA-N
- Formula
- C17H23ClO4
- SMILES
-
CC(C)CCCOC(=O)c1cccc(C(=O)OCC(
C)Cl)c1 - Molecular Weight1
- 326.81
- 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° | -289.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -685.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.30 | kJ/mol | Joback Calculated Property |
| log10WS | -4.91 | Crippen Calculated Property | |
| logPoct/wat | 4.064 | Crippen Calculated Property | |
| McVol | 253.750 | ml/mol | McGowan Calculated Property |
| Pc | 1648.43 | kPa | Joback Calculated Property |
| Inp | [2301.00; 2301.00] |
|
|
| Inp | 2301.00 | NIST | |
| Inp | 2301.00 | NIST | |
| Tboil | 809.15 | K | Joback Calculated Property |
| Tc | 1018.80 | K | Joback Calculated Property |
| Tfus | 464.53 | K | Joback Calculated Property |
| Vc | 0.965 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [732.45; 804.08] | J/mol×K | [809.15; 1018.80] |
|
| Cp,gas | 732.45 | J/mol×K | 809.15 | Joback Calculated Property |
| Cp,gas | 747.08 | J/mol×K | 844.09 | Joback Calculated Property |
| Cp,gas | 760.60 | J/mol×K | 879.03 | Joback Calculated Property |
| Cp,gas | 773.05 | J/mol×K | 913.98 | Joback Calculated Property |
| Cp,gas | 784.43 | J/mol×K | 948.92 | Joback Calculated Property |
| Cp,gas | 794.77 | J/mol×K | 983.86 | Joback Calculated Property |
| Cp,gas | 804.08 | J/mol×K | 1018.80 | Joback Calculated Property |
| η | [0.0000609; 0.0008514] | Pa×s | [464.53; 809.15] |
|
| η | 0.0008514 | Pa×s | 464.53 | Joback Calculated Property |
| η | 0.0004307 | Pa×s | 521.97 | Joback Calculated Property |
| η | 0.0002494 | Pa×s | 579.40 | Joback Calculated Property |
| η | 0.0001594 | Pa×s | 636.84 | Joback Calculated Property |
| η | 0.0001097 | Pa×s | 694.28 | Joback Calculated Property |
| η | 0.0000799 | Pa×s | 751.71 | Joback Calculated Property |
| η | 0.0000609 | Pa×s | 809.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 2-chloropropyl isohexyl ester.
Sources
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