- InChI
- InChI=1S/C11H11ClO3/c1-14-10-6-3-2-5-9(10)11(13)15-8-4-7-12/h2-7H,8H2,1H3/b7-4+
- InChI Key
- WBWAKPXHPTXRTF-QPJJXVBHSA-N
- Formula
- C11H11ClO3
- SMILES
- COc1ccccc1C(=O)OCC=CCl
- Molecular Weight1
- 226.66
- 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° | -126.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -320.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.93 | kJ/mol | Joback Calculated Property |
| log10WS | -3.17 | Crippen Calculated Property | |
| logPoct/wat | 2.604 | Crippen Calculated Property | |
| McVol | 163.340 | ml/mol | McGowan Calculated Property |
| Pc | 2729.71 | kPa | Joback Calculated Property |
| Inp | [1730.00; 1730.00] |
|
|
| Inp | 1730.00 | NIST | |
| Inp | 1730.00 | NIST | |
| Tboil | 623.04 | K | Joback Calculated Property |
| Tc | 843.89 | K | Joback Calculated Property |
| Tfus | 371.90 | K | Joback Calculated Property |
| Vc | 0.615 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [375.97; 439.39] | J/mol×K | [623.04; 843.89] |
|
| Cp,gas | 375.97 | J/mol×K | 623.04 | Joback Calculated Property |
| Cp,gas | 388.43 | J/mol×K | 659.85 | Joback Calculated Property |
| Cp,gas | 400.11 | J/mol×K | 696.66 | Joback Calculated Property |
| Cp,gas | 411.03 | J/mol×K | 733.47 | Joback Calculated Property |
| Cp,gas | 421.20 | J/mol×K | 770.27 | Joback Calculated Property |
| Cp,gas | 430.65 | J/mol×K | 807.08 | Joback Calculated Property |
| Cp,gas | 439.39 | J/mol×K | 843.89 | Joback Calculated Property |
| η | [0.0001304; 0.0010989] | Pa×s | [371.90; 623.04] |
|
| η | 0.0010989 | Pa×s | 371.90 | Joback Calculated Property |
| η | 0.0006437 | Pa×s | 413.76 | Joback Calculated Property |
| η | 0.0004160 | Pa×s | 455.61 | Joback Calculated Property |
| η | 0.0002893 | Pa×s | 497.47 | Joback Calculated Property |
| η | 0.0002129 | Pa×s | 539.33 | Joback Calculated Property |
| η | 0.0001637 | Pa×s | 581.18 | Joback Calculated Property |
| η | 0.0001304 | Pa×s | 623.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to o-Anisic acid, 3-chloroprop-2-enyl ester.
Sources
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