- InChI
- InChI=1S/C12H13ClO2/c1-2-10-4-6-11(7-5-10)12(14)15-9-3-8-13/h3-8H,2,9H2,1H3/b8-3+
- InChI Key
- SJAFWAMUNZHDSD-FPYGCLRLSA-N
- Formula
- C12H13ClO2
- SMILES
- CCc1ccc(C(=O)OCC=CCl)cc1
- Molecular Weight1
- 224.68
- 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 | 0.5737 | Relay (1.0) Calculated Property | |
| ΔfG° | -12.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -313.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.59 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.158 | Crippen Calculated Property | |
| McVol | 171.560 | ml/mol | McGowan Calculated Property |
| Pc | 2517.59 | kPa | Joback Calculated Property |
| Inp | 1733.10 | NIST | |
| Tboil | 562.49 | K | Relay (1.0) Calculated Property |
| Tc | 768.90 | K | Relay (1.0) Calculated Property |
| Tfus | 266.31 | K | Relay (1.0) Calculated Property |
| Vc | 0.596 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [400.23; 468.60] | J/mol×K | [623.50; 843.18] | 
|
| Cp,gas | 400.23 | J/mol×K | 623.50 | Joback Calculated Property |
| Cp,gas | 413.65 | J/mol×K | 660.11 | Joback Calculated Property |
| Cp,gas | 426.21 | J/mol×K | 696.73 | Joback Calculated Property |
| Cp,gas | 437.95 | J/mol×K | 733.34 | Joback Calculated Property |
| Cp,gas | 448.90 | J/mol×K | 769.95 | Joback Calculated Property |
| Cp,gas | 459.11 | J/mol×K | 806.56 | Joback Calculated Property |
| Cp,gas | 468.60 | J/mol×K | 843.18 | Joback Calculated Property |
| η | [0.0001487; 0.0014273] | Pa×s | [360.94; 623.50] |
|
| η | 0.0014273 | Pa×s | 360.94 | Joback Calculated Property |
| η | 0.0007986 | Pa×s | 404.70 | Joback Calculated Property |
| η | 0.0005004 | Pa×s | 448.46 | Joback Calculated Property |
| η | 0.0003408 | Pa×s | 492.22 | Joback Calculated Property |
| η | 0.0002471 | Pa×s | 535.98 | Joback Calculated Property |
| η | 0.0001881 | Pa×s | 579.74 | Joback Calculated Property |
| η | 0.0001487 | Pa×s | 623.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Ethylbenzoic acid, 3-chloroprop-2-enyl ester.
Sources
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