- InChI
- InChI=1S/C16H14Cl2O3/c1-2-21-15(19)16(20,11-3-7-13(17)8-4-11)12-5-9-14(18)10-6-12/h3-10,20H,2H2,1H3
- InChI Key
- RAPBNVDSDCTNRC-UHFFFAOYSA-N
- Formula
- C16H14Cl2O3
- SMILES
-
CCOC(=O)C(O)(c1ccc(Cl)cc1)c1cc
c(Cl)cc1 - Molecular Weight1
- 325.19
- CAS
- 510-15-6
- Other Names
-
- Benzeneacetic acid, 4-chloro-«alpha»-(4-chlorophenyl)-«alpha»-hydroxy-, ethyl ester
- Benzilic acid, 4,4'-dichloro-, ethyl ester
- Acar
- Acaraben
- Akar
- Akar 338
- Benzilan
- Chlorbenzilat
- Chlorbenzylate
- Compound 338
- Ethyl 4,4'-dichlorobenzilate
- Folbex
- G 23992
- G 338
- Geigy 338
- 4,4'-Dichlorobenzilic acid ethyl ester
- Chlorobenzylate
- Ethyl ester of 4,4'-dichlorobenzilic acid
- Ethyl p,p'-dichlorobenzilate
- Ethyl 4,4'-dichlorodiphenyl glycollate
- Ethyl 4,4'-dichlorophenyl glycollate
- Ethyl-2-hydroxy-2,2-bis(4-chlorophenyl)acetate
- ENT 18,596
- Kop-Mite
- NCI-C00408
- 4,4'-Dichlorbenzilsaeureaethylester
- Acaraben 4E
- Akar 50
- Benz-O-chlor
- Chlorbenzilate
- Ethyl 4-chloro-«alpha»-(4-chlorophenyl)-«alpha»-hydroxybenzeneacetate
- Ethylester kyseliny 4,4-dichlorbenzilove
- Folbex smoke-strips
- NCI-C60413
- Rcra waste number U038
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -424.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.94 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.05 | kJ/mol | Relay (1.0) Calculated Property |
| log10WS | -4.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.792 | Crippen Calculated Property | |
| McVol | 226.570 | ml/mol | McGowan Calculated Property |
| Inp | [371.32; 2262.00] |
|
|
| Inp | 2204.00 | NIST | |
| Inp | 2261.00 | NIST | |
| Inp | 2262.00 | NIST | |
| Inp | 372.66 | NIST | |
| Inp | 371.32 | NIST | |
| Inp | 372.66 | NIST | |
| I | 3230.00 | NIST | |
| Tboil | 625.53 | K | Relay (1.0) Calculated Property |
| Tfus | 312.19 ± 0.20 | K | NIST |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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 | [612.06; 660.47] | J/mol×K | [851.03; 1083.36] |
|
| Cp,gas | 612.06 | J/mol×K | 851.03 | Joback Calculated Property |
| Cp,gas | 622.33 | J/mol×K | 889.75 | Joback Calculated Property |
| Cp,gas | 631.61 | J/mol×K | 928.47 | Joback Calculated Property |
| Cp,gas | 639.99 | J/mol×K | 967.19 | Joback Calculated Property |
| Cp,gas | 647.54 | J/mol×K | 1005.92 | Joback Calculated Property |
| Cp,gas | 654.34 | J/mol×K | 1044.64 | Joback Calculated Property |
| Cp,gas | 660.47 | J/mol×K | 1083.36 | Joback Calculated Property |
| η | [0.0000113; 0.0003587] | Pa×s | [513.37; 851.03] |
|
| η | 0.0003587 | Pa×s | 513.37 | Joback Calculated Property |
| η | 0.0001517 | Pa×s | 569.65 | Joback Calculated Property |
| η | 0.0000748 | Pa×s | 625.92 | Joback Calculated Property |
| η | 0.0000415 | Pa×s | 682.20 | Joback Calculated Property |
| η | 0.0000252 | Pa×s | 738.48 | Joback Calculated Property |
| η | 0.0000164 | Pa×s | 794.75 | Joback Calculated Property |
| η | 0.0000113 | Pa×s | 851.03 | Joback Calculated Property |
| ΔfusH | 23.48 | kJ/mol | 310.40 | NIST |
Similar Compounds
Find more compounds similar to Chlorobenzilate.
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
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