- InChI
- InChI=1S/C19H27ClO4/c1-2-3-7-13-23-18(21)16-10-9-11-17(15-16)19(22)24-14-8-5-4-6-12-20/h9-11,15H,2-8,12-14H2,1H3
- InChI Key
- ALALRFOFOBOCJF-UHFFFAOYSA-N
- Formula
- C19H27ClO4
- SMILES
-
CCCCCOC(=O)c1cccc(C(=O)OCCCCCC
Cl)c1 - Molecular Weight1
- 354.87
- 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° | -267.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -715.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.52 | kJ/mol | Joback Calculated Property |
| log10WS | -5.88 | Crippen Calculated Property | |
| logPoct/wat | 4.990 | Crippen Calculated Property | |
| McVol | 281.930 | ml/mol | McGowan Calculated Property |
| Pc | 1401.69 | kPa | Joback Calculated Property |
| Inp | [2735.00; 2735.00] |
|
|
| Inp | 2735.00 | NIST | |
| Inp | 2735.00 | NIST | |
| Tboil | 855.79 | K | Joback Calculated Property |
| Tc | 1060.17 | K | Joback Calculated Property |
| Tfus | 517.07 | K | Joback Calculated Property |
| Vc | 1.089 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [846.29; 918.69] | J/mol×K | [855.79; 1060.17] |
|
| Cp,gas | 846.29 | J/mol×K | 855.79 | Joback Calculated Property |
| Cp,gas | 861.04 | J/mol×K | 889.85 | Joback Calculated Property |
| Cp,gas | 874.69 | J/mol×K | 923.92 | Joback Calculated Property |
| Cp,gas | 887.26 | J/mol×K | 957.98 | Joback Calculated Property |
| Cp,gas | 898.76 | J/mol×K | 992.04 | Joback Calculated Property |
| Cp,gas | 909.23 | J/mol×K | 1026.10 | Joback Calculated Property |
| Cp,gas | 918.69 | J/mol×K | 1060.17 | Joback Calculated Property |
| η | [0.0000546; 0.0005380] | Pa×s | [517.07; 855.79] |
|
| η | 0.0005380 | Pa×s | 517.07 | Joback Calculated Property |
| η | 0.0003045 | Pa×s | 573.52 | Joback Calculated Property |
| η | 0.0001909 | Pa×s | 629.98 | Joback Calculated Property |
| η | 0.0001292 | Pa×s | 686.43 | Joback Calculated Property |
| η | 0.0000928 | Pa×s | 742.88 | Joback Calculated Property |
| η | 0.0000698 | Pa×s | 799.34 | Joback Calculated Property |
| η | 0.0000546 | Pa×s | 855.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 6-chlorohexyl pentyl ester.
Sources
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