- 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).
- 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).
- 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).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- I : 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° | -102.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -360.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.40 | kJ/mol | Joback Calculated Property |
| log10WS | -4.49 | Crippen Calculated Property | |
| logPoct/wat | 3.792 | Crippen Calculated Property | |
| McVol | 226.570 | ml/mol | McGowan Calculated Property |
| Pc | 2405.28 | kPa | Joback 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 | 868.90 | K | Joback Calculated Property |
| Tc | 1102.84 | K | Joback Calculated Property |
| Tfus | 312.19 ± 0.20 | K | NIST |
| Vc | 0.846 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [614.82; 664.28] | J/mol×K | [868.90; 1102.84] |
|
| Cp,gas | 614.82 | J/mol×K | 868.90 | Joback Calculated Property |
| Cp,gas | 625.08 | J/mol×K | 907.89 | Joback Calculated Property |
| Cp,gas | 634.44 | J/mol×K | 946.88 | Joback Calculated Property |
| Cp,gas | 642.95 | J/mol×K | 985.87 | Joback Calculated Property |
| Cp,gas | 650.72 | J/mol×K | 1024.86 | Joback Calculated Property |
| Cp,gas | 657.80 | J/mol×K | 1063.85 | Joback Calculated Property |
| Cp,gas | 664.28 | J/mol×K | 1102.84 | Joback Calculated Property |
| η | [0.0000125; 0.0002689] | Pa×s | [543.20; 868.90] |
|
| η | 0.0002689 | Pa×s | 543.20 | Joback Calculated Property |
| η | 0.0001277 | Pa×s | 597.48 | Joback Calculated Property |
| η | 0.0000687 | Pa×s | 651.77 | Joback Calculated Property |
| η | 0.0000406 | Pa×s | 706.05 | Joback Calculated Property |
| η | 0.0000259 | Pa×s | 760.33 | Joback Calculated Property |
| η | 0.0000175 | Pa×s | 814.62 | Joback Calculated Property |
| η | 0.0000125 | Pa×s | 868.90 | Joback Calculated Property |
| ΔfusH | 23.48 | kJ/mol | 310.40 | NIST |
Similar Compounds
Find more compounds similar to Chlorobenzilate.
Sources
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