- InChI
- InChI=1S/C15H18Cl2O4/c1-2-3-4-9-20-14(18)11-5-7-12(8-6-11)15(19)21-10-13(16)17/h5-8,13H,2-4,9-10H2,1H3
- InChI Key
- SVHGCUIONYMSPI-UHFFFAOYSA-N
- Formula
- C15H18Cl2O4
- SMILES
-
CCCCCOC(=O)c1ccc(C(=O)OCC(Cl)C
l)cc1 - Molecular Weight1
- 333.21
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.8562 | Relay (1.0) Calculated Property | |
| ΔfG° | -315.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -774.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.994 | Crippen Calculated Property | |
| McVol | 237.810 | ml/mol | McGowan Calculated Property |
| Pc | 1864.33 | kPa | Joback Calculated Property |
| Inp | [2318.00; 2318.00] |
|
|
| Inp | 2318.00 | NIST | |
| Inp | 2318.00 | NIST | |
| Tboil | 626.53 | K | Relay (1.0) Calculated Property |
| Tc | 839.62 | K | Relay (1.0) Calculated Property |
| Tfus | 323.76 | K | Relay (1.0) Calculated Property |
| Vc | 0.862 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [645.29; 706.94] | J/mol×K | [801.26; 1015.00] |
|
| Cp,gas | 645.29 | J/mol×K | 801.26 | Joback Calculated Property |
| Cp,gas | 658.03 | J/mol×K | 836.88 | Joback Calculated Property |
| Cp,gas | 669.76 | J/mol×K | 872.51 | Joback Calculated Property |
| Cp,gas | 680.50 | J/mol×K | 908.13 | Joback Calculated Property |
| Cp,gas | 690.27 | J/mol×K | 943.76 | Joback Calculated Property |
| Cp,gas | 699.08 | J/mol×K | 979.38 | Joback Calculated Property |
| Cp,gas | 706.94 | J/mol×K | 1015.00 | Joback Calculated Property |
| η | [0.0000762; 0.0007403] | Pa×s | [486.91; 801.26] |
|
| η | 0.0007403 | Pa×s | 486.91 | Joback Calculated Property |
| η | 0.0004216 | Pa×s | 539.30 | Joback Calculated Property |
| η | 0.0002653 | Pa×s | 591.69 | Joback Calculated Property |
| η | 0.0001800 | Pa×s | 644.09 | Joback Calculated Property |
| η | 0.0001294 | Pa×s | 696.48 | Joback Calculated Property |
| η | 0.0000975 | Pa×s | 748.87 | Joback Calculated Property |
| η | 0.0000762 | Pa×s | 801.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Terephthalic acid, 2,2-dichloroethyl pentyl ester.
Sources
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