- InChI
- InChI=1S/C9H9ClO2/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6,8H,1H3
- InChI Key
- XOIOYHPJZJLTGK-UHFFFAOYSA-N
- Formula
- C9H9ClO2
- SMILES
- COC(=O)C(Cl)c1ccccc1
- Molecular Weight1
- 184.62
- CAS
- 7476-66-6
- Other Names
-
- Methyl chloro(phenyl)acetate
- Methyl alpha-chlorophenylacetate
- Methyl a-chlorophenylacetate
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 |
|---|---|---|---|
| ω | 0.4041 | Relay (1.0) Calculated Property | |
| ΔfG° | -110.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -336.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.139 | Crippen Calculated Property | |
| McVol | 133.590 | ml/mol | McGowan Calculated Property |
| Pc | 3325.84 | kPa | Joback Calculated Property |
| Tboil | 506.86 | K | Relay (1.0) Calculated Property |
| Tc | 734.05 | K | Relay (1.0) Calculated Property |
| Tfus | 286.00 | K | Relay (1.0) Calculated Property |
| Vc | 0.465 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [281.82; 343.63] | J/mol×K | [545.28; 771.28] | 
|
| Cp,gas | 281.82 | J/mol×K | 545.28 | Joback Calculated Property |
| Cp,gas | 294.01 | J/mol×K | 582.95 | Joback Calculated Property |
| Cp,gas | 305.41 | J/mol×K | 620.61 | Joback Calculated Property |
| Cp,gas | 316.05 | J/mol×K | 658.28 | Joback Calculated Property |
| Cp,gas | 325.96 | J/mol×K | 695.95 | Joback Calculated Property |
| Cp,gas | 335.15 | J/mol×K | 733.61 | Joback Calculated Property |
| Cp,gas | 343.63 | J/mol×K | 771.28 | Joback Calculated Property |
| η | [0.0002204; 0.0028549] | Pa×s | [304.69; 545.28] |
|
| η | 0.0028549 | Pa×s | 304.69 | Joback Calculated Property |
| η | 0.0014534 | Pa×s | 344.79 | Joback Calculated Property |
| η | 0.0008517 | Pa×s | 384.89 | Joback Calculated Property |
| η | 0.0005521 | Pa×s | 424.99 | Joback Calculated Property |
| η | 0.0003856 | Pa×s | 465.08 | Joback Calculated Property |
| η | 0.0002851 | Pa×s | 505.18 | Joback Calculated Property |
| η | 0.0002204 | Pa×s | 545.28 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 402.50 ± 1.50 | K | 2.30 | NIST |
Similar Compounds
Find more compounds similar to Methyl «alpha»-chlorophenylacetate.
Sources
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