- InChI
- InChI=1S/C12H13ClO2/c1-9(2)7-8-15-12(14)10-5-3-4-6-11(10)13/h3-7H,8H2,1-2H3
- InChI Key
- ATGFDZGHHGODGL-UHFFFAOYSA-N
- Formula
- C12H13ClO2
- SMILES
- CC(C)=CCOC(=O)c1ccccc1Cl
- Molecular Weight1
- 224.68
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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° | -21.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -219.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.82 | kJ/mol | Joback Calculated Property |
| log10WS | -3.93 | Crippen Calculated Property | |
| logPoct/wat | 3.463 | Crippen Calculated Property | |
| McVol | 171.560 | ml/mol | McGowan Calculated Property |
| Pc | 2530.27 | kPa | Joback Calculated Property |
| Inp | [1623.00; 1623.00] |
|
|
| Inp | 1623.00 | NIST | |
| Inp | 1623.00 | NIST | |
| Tboil | 623.38 | K | Joback Calculated Property |
| Tc | 846.88 | K | Joback Calculated Property |
| Tfus | 346.98 | K | Joback Calculated Property |
| Vc | 0.653 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [399.99; 469.21] | J/mol×K | [623.38; 846.88] |
|
| Cp,gas | 399.99 | J/mol×K | 623.38 | Joback Calculated Property |
| Cp,gas | 413.60 | J/mol×K | 660.63 | Joback Calculated Property |
| Cp,gas | 426.34 | J/mol×K | 697.88 | Joback Calculated Property |
| Cp,gas | 438.23 | J/mol×K | 735.13 | Joback Calculated Property |
| Cp,gas | 449.31 | J/mol×K | 772.38 | Joback Calculated Property |
| Cp,gas | 459.62 | J/mol×K | 809.63 | Joback Calculated Property |
| Cp,gas | 469.21 | J/mol×K | 846.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Chlorobenzoic acid, 3-methylbut-2-enyl ester.
Sources
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