- InChI
- InChI=1S/C20H29ClO4/c1-16(2)9-8-14-25-20(23)18-11-7-10-17(15-18)19(22)24-13-6-4-3-5-12-21/h7,10-11,15-16H,3-6,8-9,12-14H2,1-2H3
- InChI Key
- NTYUZRZNFSQGCB-UHFFFAOYSA-N
- Formula
- C20H29ClO4
- SMILES
-
CC(C)CCCOC(=O)c1cccc(C(=O)OCCC
CCCCl)c1 - Molecular Weight1
- 368.89
- 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° | -261.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -741.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.36 | kJ/mol | Joback Calculated Property |
| log10WS | -6.05 | Crippen Calculated Property | |
| logPoct/wat | 5.236 | Crippen Calculated Property | |
| McVol | 296.020 | ml/mol | McGowan Calculated Property |
| Pc | 1313.70 | kPa | Joback Calculated Property |
| Inp | [2789.00; 2789.00] |
|
|
| Inp | 2789.00 | NIST | |
| Inp | 2789.00 | NIST | |
| Tboil | 878.23 | K | Joback Calculated Property |
| Tc | 1085.09 | K | Joback Calculated Property |
| Tfus | 513.34 | K | Joback Calculated Property |
| Vc | 1.139 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [905.47; 978.64] | J/mol×K | [878.23; 1085.09] |
|
| Cp,gas | 905.47 | J/mol×K | 878.23 | Joback Calculated Property |
| Cp,gas | 920.52 | J/mol×K | 912.71 | Joback Calculated Property |
| Cp,gas | 934.40 | J/mol×K | 947.18 | Joback Calculated Property |
| Cp,gas | 947.12 | J/mol×K | 981.66 | Joback Calculated Property |
| Cp,gas | 958.72 | J/mol×K | 1016.14 | Joback Calculated Property |
| Cp,gas | 969.21 | J/mol×K | 1050.62 | Joback Calculated Property |
| Cp,gas | 978.64 | J/mol×K | 1085.09 | Joback Calculated Property |
| η | [0.0000432; 0.0005407] | Pa×s | [513.34; 878.23] |
|
| η | 0.0005407 | Pa×s | 513.34 | Joback Calculated Property |
| η | 0.0002839 | Pa×s | 574.15 | Joback Calculated Property |
| η | 0.0001687 | Pa×s | 634.97 | Joback Calculated Property |
| η | 0.0001098 | Pa×s | 695.78 | Joback Calculated Property |
| η | 0.0000765 | Pa×s | 756.60 | Joback Calculated Property |
| η | 0.0000563 | Pa×s | 817.41 | Joback Calculated Property |
| η | 0.0000432 | Pa×s | 878.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 6-chlorohexyl isohexyl ester.
Sources
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