- InChI
- InChI=1S/C17H16Cl2O3/c1-11(2)22-16(20)17(21,12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-11,21H,1-2H3
- InChI Key
- AXGUBXVWZBFQGA-UHFFFAOYSA-N
- Formula
- C17H16Cl2O3
- SMILES
-
CC(C)OC(=O)C(O)(c1ccc(Cl)cc1)c
1ccc(Cl)cc1 - Molecular Weight1
- 339.21
- CAS
- 5836-10-2
- Other Names
-
- 1-Methylethyl 4-chloro-«alpha»-(4-chlorophenyl)-«alpha»-hydroxybenzeneacetate
- 1-Methylethyl 4-chloro-«alpha»-(4-chlorophenyl)-«alpha»-hydroxybenzeneacetate
- Acaralate
- Benzeneacetic acid, 4-chloro-«alpha»-(4-chlorophenyl)-«alpha»-hydroxy-, 1-methylethyl ester
- Benzeneacetic acid, 4-chloro-«alpha»-(4-chlorophenyl)-«alpha»-hydroxy-, 1-methylethyl ester
- Benzilic acid, 4,4'-dichloro-, isopropyl ester
- Chlormite
- Chlorpropylat
- Chlorpropylate
- ENT 26,999
- G 24,163
- GEIGY 24163
- Gesakur
- Isopropyl 4,4'-Dichlorobenzilate
- Isopropylester kyseliny 4,4'-dichlorbenzilove
- Rospan
- Rospin
- Rospine
- propan-2-yl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate
- 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.
- 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° | -96.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -386.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.23 | kJ/mol | Joback Calculated Property |
| log10WS | [-4.53; -4.53] |
|
|
| log10WS | -4.53 | Aq. Sol... | |
| log10WS | -4.53 | Estimat... | |
| logPoct/wat | 4.181 | Crippen Calculated Property | |
| McVol | 240.660 | ml/mol | McGowan Calculated Property |
| Pc | 2210.37 | kPa | Joback Calculated Property |
| Inp | [2189.00; 2189.00] |
|
|
| Inp | 2189.00 | NIST | |
| Inp | 2189.00 | NIST | |
| I | 3337.00 | NIST | |
| Tboil | 891.34 | K | Joback Calculated Property |
| Tc | 1125.88 | K | Joback Calculated Property |
| Tfus | 345.00 ± 0.20 | K | NIST |
| Vc | 0.895 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [670.52; 722.15] | J/mol×K | [891.34; 1125.88] |
|
| Cp,gas | 670.52 | J/mol×K | 891.34 | Joback Calculated Property |
| Cp,gas | 681.22 | J/mol×K | 930.43 | Joback Calculated Property |
| Cp,gas | 690.98 | J/mol×K | 969.52 | Joback Calculated Property |
| Cp,gas | 699.87 | J/mol×K | 1008.61 | Joback Calculated Property |
| Cp,gas | 707.97 | J/mol×K | 1047.70 | Joback Calculated Property |
| Cp,gas | 715.37 | J/mol×K | 1086.79 | Joback Calculated Property |
| Cp,gas | 722.15 | J/mol×K | 1125.88 | Joback Calculated Property |
| η | [0.0000095; 0.0002718] | Pa×s | [539.47; 891.34] |
|
| η | 0.0002718 | Pa×s | 539.47 | Joback Calculated Property |
| η | 0.0001181 | Pa×s | 598.12 | Joback Calculated Property |
| η | 0.0000596 | Pa×s | 656.76 | Joback Calculated Property |
| η | 0.0000336 | Pa×s | 715.40 | Joback Calculated Property |
| η | 0.0000207 | Pa×s | 774.05 | Joback Calculated Property |
| η | 0.0000136 | Pa×s | 832.69 | Joback Calculated Property |
| η | 0.0000095 | Pa×s | 891.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Chloropropylate.
Sources
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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