- InChI
- InChI=1S/C16H13Cl3O4/c17-16(18,19)11-22-15(20)23-14-8-6-13(7-9-14)21-10-12-4-2-1-3-5-12/h1-9H,10-11H2
- InChI Key
- APNMBQJHVZLHMO-UHFFFAOYSA-N
- Formula
- C16H13Cl3O4
- SMILES
-
O=C(OCC(Cl)(Cl)Cl)Oc1ccc(OCc2c
cccc2)cc1 - Molecular Weight1
- 375.63
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -527.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.65 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 5.151 | Crippen Calculated Property | |
| McVol | 244.680 | ml/mol | McGowan Calculated Property |
| Inp | [2641.00; 2641.00] |
|
|
| Inp | 2641.00 | NIST | |
| Inp | 2641.00 | NIST | |
| Tboil | 668.04 | K | Relay (1.0) Calculated Property |
| Tfus | 370.65 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [638.78; 687.43] | J/mol×K | [836.14; 1080.98] |
|
| Cp,gas | 638.78 | J/mol×K | 836.14 | Joback Calculated Property |
| Cp,gas | 650.00 | J/mol×K | 876.95 | Joback Calculated Property |
| Cp,gas | 659.91 | J/mol×K | 917.75 | Joback Calculated Property |
| Cp,gas | 668.55 | J/mol×K | 958.56 | Joback Calculated Property |
| Cp,gas | 675.98 | J/mol×K | 999.37 | Joback Calculated Property |
| Cp,gas | 682.25 | J/mol×K | 1040.17 | Joback Calculated Property |
| Cp,gas | 687.43 | J/mol×K | 1080.98 | Joback Calculated Property |
| η | [0.0000345; 0.0003840] | Pa×s | [514.41; 836.14] |
|
| η | 0.0003840 | Pa×s | 514.41 | Joback Calculated Property |
| η | 0.0002126 | Pa×s | 568.03 | Joback Calculated Property |
| η | 0.0001304 | Pa×s | 621.65 | Joback Calculated Property |
| η | 0.0000864 | Pa×s | 675.28 | Joback Calculated Property |
| η | 0.0000608 | Pa×s | 728.90 | Joback Calculated Property |
| η | 0.0000449 | Pa×s | 782.52 | Joback Calculated Property |
| η | 0.0000345 | Pa×s | 836.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Carbonic acid, 2,2,2-trichloroethyl 4-benzyloxyphenyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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