- InChI
- InChI=1S/C9H9ClO3/c1-12-7-2-4-8(5-3-7)13-9(11)6-10/h2-5H,6H2,1H3
- InChI Key
- CWZUOZZTNYZVSQ-UHFFFAOYSA-N
- Formula
- C9H9ClO3
- SMILES
- COc1ccc(OC(=O)CCl)cc1
- Molecular Weight1
- 200.62
- 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.
- 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° | -223.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -396.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.52 | kJ/mol | Joback Calculated Property |
| log10WS | -2.06 | Crippen Calculated Property | |
| logPoct/wat | 1.839 | Crippen Calculated Property | |
| McVol | 139.460 | ml/mol | McGowan Calculated Property |
| Pc | 3177.55 | kPa | Joback Calculated Property |
| Inp | [1505.00; 1505.00] |
|
|
| Inp | 1505.00 | NIST | |
| Inp | 1505.00 | NIST | |
| Tboil | 573.12 | K | Joback Calculated Property |
| Tc | 792.51 | K | Joback Calculated Property |
| Tfus | 354.44 | K | Joback Calculated Property |
| Vc | 0.522 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [303.31; 362.09] | J/mol×K | [573.12; 792.51] |
|
| Cp,gas | 303.31 | J/mol×K | 573.12 | Joback Calculated Property |
| Cp,gas | 314.68 | J/mol×K | 609.69 | Joback Calculated Property |
| Cp,gas | 325.43 | J/mol×K | 646.25 | Joback Calculated Property |
| Cp,gas | 335.55 | J/mol×K | 682.82 | Joback Calculated Property |
| Cp,gas | 345.03 | J/mol×K | 719.38 | Joback Calculated Property |
| Cp,gas | 353.88 | J/mol×K | 755.95 | Joback Calculated Property |
| Cp,gas | 362.09 | J/mol×K | 792.51 | Joback Calculated Property |
| η | [0.0001851; 0.0012872] | Pa×s | [354.44; 573.12] |
|
| η | 0.0012872 | Pa×s | 354.44 | Joback Calculated Property |
| η | 0.0008013 | Pa×s | 390.89 | Joback Calculated Property |
| η | 0.0005409 | Pa×s | 427.33 | Joback Calculated Property |
| η | 0.0003883 | Pa×s | 463.78 | Joback Calculated Property |
| η | 0.0002926 | Pa×s | 500.23 | Joback Calculated Property |
| η | 0.0002291 | Pa×s | 536.67 | Joback Calculated Property |
| η | 0.0001851 | Pa×s | 573.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Chloroacetic acid, 4-methoxyphenyl ester.
Sources
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