- InChI
- InChI=1S/C12H9ClO2/c13-8-12(14)15-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2
- InChI Key
- DQHZHTWQJQJIKE-UHFFFAOYSA-N
- Formula
- C12H9ClO2
- SMILES
- O=C(CCl)Oc1ccc2ccccc2c1
- Molecular Weight1
- 220.65
- 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 | 0.5892 | Relay (1.0) Calculated Property | |
| ΔfG° | 13.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -250.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.984 | Crippen Calculated Property | |
| McVol | 156.400 | ml/mol | McGowan Calculated Property |
| Pc | 3086.42 | kPa | Joback Calculated Property |
| Inp | 1799.00 | NIST | |
| Tboil | 603.60 | K | Relay (1.0) Calculated Property |
| Tc | 874.84 | K | Relay (1.0) Calculated Property |
| Tfus | 364.21 | K | Relay (1.0) Calculated Property |
| Vc | 0.558 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [360.57; 420.70] | J/mol×K | [638.32; 876.81] | 
|
| Cp,gas | 360.57 | J/mol×K | 638.32 | Joback Calculated Property |
| Cp,gas | 372.75 | J/mol×K | 678.07 | Joback Calculated Property |
| Cp,gas | 383.98 | J/mol×K | 717.82 | Joback Calculated Property |
| Cp,gas | 394.34 | J/mol×K | 757.57 | Joback Calculated Property |
| Cp,gas | 403.87 | J/mol×K | 797.31 | Joback Calculated Property |
| Cp,gas | 412.63 | J/mol×K | 837.06 | Joback Calculated Property |
| Cp,gas | 420.70 | J/mol×K | 876.81 | Joback Calculated Property |
| η | [0.0002961; 0.0014192] | Pa×s | [398.72; 638.32] |
|
| η | 0.0014192 | Pa×s | 398.72 | Joback Calculated Property |
| η | 0.0009705 | Pa×s | 438.65 | Joback Calculated Property |
| η | 0.0007071 | Pa×s | 478.59 | Joback Calculated Property |
| η | 0.0005409 | Pa×s | 518.52 | Joback Calculated Property |
| η | 0.0004300 | Pa×s | 558.45 | Joback Calculated Property |
| η | 0.0003524 | Pa×s | 598.39 | Joback Calculated Property |
| η | 0.0002961 | Pa×s | 638.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Chloroacetic acid, 2-naphthyl ester.
Sources
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