- InChI
- InChI=1S/C14H16Cl2O4/c1-2-3-8-19-13(17)10-6-4-5-7-11(10)14(18)20-9-12(15)16/h4-7,12H,2-3,8-9H2,1H3
- InChI Key
- CVCPJEGJUBTIKF-UHFFFAOYSA-N
- Formula
- C14H16Cl2O4
- SMILES
-
CCCCOC(=O)c1ccccc1C(=O)OCC(Cl)
Cl - Molecular Weight1
- 319.18
- 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 | 0.7985 | Relay (1.0) Calculated Property | |
| ΔfG° | -324.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -736.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.96 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.604 | Crippen Calculated Property | |
| McVol | 223.720 | ml/mol | McGowan Calculated Property |
| Pc | 2029.06 | kPa | Joback Calculated Property |
| Inp | 2104.00 | NIST | |
| Tboil | 615.14 | K | Relay (1.0) Calculated Property |
| Tc | 831.58 | K | Relay (1.0) Calculated Property |
| Tfus | 279.53 | K | Relay (1.0) Calculated Property |
| Vc | 0.806 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [590.88; 651.03] | J/mol×K | [778.38; 994.35] | 
|
| Cp,gas | 590.88 | J/mol×K | 778.38 | Joback Calculated Property |
| Cp,gas | 603.29 | J/mol×K | 814.37 | Joback Calculated Property |
| Cp,gas | 614.73 | J/mol×K | 850.37 | Joback Calculated Property |
| Cp,gas | 625.21 | J/mol×K | 886.36 | Joback Calculated Property |
| Cp,gas | 634.74 | J/mol×K | 922.36 | Joback Calculated Property |
| Cp,gas | 643.35 | J/mol×K | 958.35 | Joback Calculated Property |
| Cp,gas | 651.03 | J/mol×K | 994.35 | Joback Calculated Property |
| η | [0.0000875; 0.0008144] | Pa×s | [475.64; 778.38] |
|
| η | 0.0008144 | Pa×s | 475.64 | Joback Calculated Property |
| η | 0.0004698 | Pa×s | 526.10 | Joback Calculated Property |
| η | 0.0002984 | Pa×s | 576.55 | Joback Calculated Property |
| η | 0.0002039 | Pa×s | 627.01 | Joback Calculated Property |
| η | 0.0001475 | Pa×s | 677.47 | Joback Calculated Property |
| η | 0.0001116 | Pa×s | 727.92 | Joback Calculated Property |
| η | 0.0000875 | Pa×s | 778.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phthalic acid, butyl 2,2-dichloroethyl ester.
Sources
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