- InChI
- InChI=1S/C9H9ClO2/c1-12-9(11)6-7-3-2-4-8(10)5-7/h2-5H,6H2,1H3
- InChI Key
- HTBBVKFFDDQVER-UHFFFAOYSA-N
- Formula
- C9H9ClO2
- SMILES
- COC(=O)Cc1cccc(Cl)c1
- Molecular Weight1
- 184.62
- 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).
- Inp : Non-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 |
|---|---|---|---|
| ω | 0.4643 | Relay (1.0) Calculated Property | |
| ΔfG° | -118.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -329.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.60 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.055 | Crippen Calculated Property | |
| McVol | 133.590 | ml/mol | McGowan Calculated Property |
| Pc | 3239.34 | kPa | Joback Calculated Property |
| Inp | [1304.30; 1340.50] |
|
|
| Inp | 1304.30 | NIST | |
| Inp | 1340.50 | NIST | |
| Inp | 1304.30 | NIST | |
| Tboil | 514.67 | K | Relay (1.0) Calculated Property |
| Tc | 730.88 | K | Relay (1.0) Calculated Property |
| Tfus | 252.87 | K | Relay (1.0) Calculated Property |
| Vc | 0.479 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [280.82; 340.09] | J/mol×K | [550.70; 772.80] |
|
| Cp,gas | 280.82 | J/mol×K | 550.70 | Joback Calculated Property |
| Cp,gas | 292.35 | J/mol×K | 587.72 | Joback Calculated Property |
| Cp,gas | 303.20 | J/mol×K | 624.73 | Joback Calculated Property |
| Cp,gas | 313.39 | J/mol×K | 661.75 | Joback Calculated Property |
| Cp,gas | 322.92 | J/mol×K | 698.76 | Joback Calculated Property |
| Cp,gas | 331.82 | J/mol×K | 735.78 | Joback Calculated Property |
| Cp,gas | 340.09 | J/mol×K | 772.80 | Joback Calculated Property |
| η | [0.0002281; 0.0016956] | Pa×s | [332.21; 550.70] |
|
| η | 0.0016956 | Pa×s | 332.21 | Joback Calculated Property |
| η | 0.0010290 | Pa×s | 368.63 | Joback Calculated Property |
| η | 0.0006831 | Pa×s | 405.04 | Joback Calculated Property |
| η | 0.0004852 | Pa×s | 441.46 | Joback Calculated Property |
| η | 0.0003631 | Pa×s | 477.87 | Joback Calculated Property |
| η | 0.0002831 | Pa×s | 514.29 | Joback Calculated Property |
| η | 0.0002281 | Pa×s | 550.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenylacetic acid, 3-chloro, methyl ester.
Sources
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