- InChI
- InChI=1S/C16H20Cl2O4/c1-2-3-4-7-10-21-15(19)12-8-5-6-9-13(12)16(20)22-11-14(17)18/h5-6,8-9,14H,2-4,7,10-11H2,1H3
- InChI Key
- KTXDWQQJMPQCKJ-UHFFFAOYSA-N
- Formula
- C16H20Cl2O4
- SMILES
-
CCCCCCOC(=O)c1ccccc1C(=O)OCC(C
l)Cl - Molecular Weight1
- 347.23
- 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° | -307.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -674.87 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.84 | kJ/mol | Joback Calculated Property |
| log10WS | -5.38 | Crippen Calculated Property | |
| logPoct/wat | 4.384 | Crippen Calculated Property | |
| McVol | 251.900 | ml/mol | McGowan Calculated Property |
| Pc | 1718.88 | kPa | Joback Calculated Property |
| Inp | 2314.00 | NIST | |
| Tboil | 824.14 | K | Joback Calculated Property |
| Tc | 1036.24 | K | Joback Calculated Property |
| Tfus | 498.18 | K | Joback Calculated Property |
| Vc | 0.964 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [700.68; 763.55] | J/mol×K | [824.14; 1036.24] | 
|
| Cp,gas | 700.68 | J/mol×K | 824.14 | Joback Calculated Property |
| Cp,gas | 713.70 | J/mol×K | 859.49 | Joback Calculated Property |
| Cp,gas | 725.67 | J/mol×K | 894.84 | Joback Calculated Property |
| Cp,gas | 736.63 | J/mol×K | 930.19 | Joback Calculated Property |
| Cp,gas | 746.58 | J/mol×K | 965.54 | Joback Calculated Property |
| Cp,gas | 755.55 | J/mol×K | 1000.89 | Joback Calculated Property |
| Cp,gas | 763.55 | J/mol×K | 1036.24 | Joback Calculated Property |
| η | [0.0000662; 0.0006699] | Pa×s | [498.18; 824.14] |
|
| η | 0.0006699 | Pa×s | 498.18 | Joback Calculated Property |
| η | 0.0003768 | Pa×s | 552.51 | Joback Calculated Property |
| η | 0.0002349 | Pa×s | 606.83 | Joback Calculated Property |
| η | 0.0001583 | Pa×s | 661.16 | Joback Calculated Property |
| η | 0.0001132 | Pa×s | 715.49 | Joback Calculated Property |
| η | 0.0000849 | Pa×s | 769.81 | Joback Calculated Property |
| η | 0.0000662 | Pa×s | 824.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, 2,2-dichloroethyl hexyl ester.
Sources
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