- InChI
- InChI=1S/C9H6Cl4O2/c10-7-3-1-6(2-4-7)8(14)15-5-9(11,12)13/h1-4H,5H2
- InChI Key
- SIPWACSQOMJEQO-UHFFFAOYSA-N
- Formula
- C9H6Cl4O2
- SMILES
- O=C(OCC(Cl)(Cl)Cl)c1ccc(Cl)cc1
- Molecular Weight1
- 287.95
- Other Names
-
- Benzoic acid, 4-chloro, 2,2,2-trichloroethyl ester
- 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° | -151.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -320.54 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.97 | kJ/mol | Joback Calculated Property |
| log10WS | -4.38 | Crippen Calculated Property | |
| logPoct/wat | 3.867 | Crippen Calculated Property | |
| McVol | 170.310 | ml/mol | McGowan Calculated Property |
| Pc | 2925.00 | kPa | Joback Calculated Property |
| Inp | [1683.00; 1717.00] |
|
|
| Inp | 1683.00 | NIST | |
| Inp | 1696.00 | NIST | |
| Inp | 1711.00 | NIST | |
| Inp | 1717.00 | NIST | |
| Inp | 1692.00 | NIST | |
| Inp | 1702.00 | NIST | |
| Inp | 1717.00 | NIST | |
| Tboil | 659.76 | K | Joback Calculated Property |
| Tc | 906.78 | K | Joback Calculated Property |
| Tfus | 424.39 | K | Joback Calculated Property |
| Vc | 0.640 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [350.48; 393.89] | J/mol×K | [659.76; 906.78] |
|
| Cp,gas | 350.48 | J/mol×K | 659.76 | Joback Calculated Property |
| Cp,gas | 359.71 | J/mol×K | 700.93 | Joback Calculated Property |
| Cp,gas | 368.06 | J/mol×K | 742.10 | Joback Calculated Property |
| Cp,gas | 375.59 | J/mol×K | 783.27 | Joback Calculated Property |
| Cp,gas | 382.37 | J/mol×K | 824.44 | Joback Calculated Property |
| Cp,gas | 388.45 | J/mol×K | 865.61 | Joback Calculated Property |
| Cp,gas | 393.89 | J/mol×K | 906.78 | Joback Calculated Property |
| η | [0.0001637; 0.0012664] | Pa×s | [424.39; 659.76] |
|
| η | 0.0012664 | Pa×s | 424.39 | Joback Calculated Property |
| η | 0.0007795 | Pa×s | 463.62 | Joback Calculated Property |
| η | 0.0005175 | Pa×s | 502.85 | Joback Calculated Property |
| η | 0.0003646 | Pa×s | 542.08 | Joback Calculated Property |
| η | 0.0002693 | Pa×s | 581.30 | Joback Calculated Property |
| η | 0.0002066 | Pa×s | 620.53 | Joback Calculated Property |
| η | 0.0001637 | Pa×s | 659.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Chlorobenzoic acid, 2,2,2-trichloroethyl ester.
Sources
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