- InChI
- InChI=1S/C11H9ClO2/c1-3-8(2)14-11(13)9-4-6-10(12)7-5-9/h1,4-8H,2H3
- InChI Key
- LRAXWWFDHMSJAF-UHFFFAOYSA-N
- Formula
- C11H9ClO2
- SMILES
- C#CC(C)OC(=O)c1ccc(Cl)cc1
- Molecular Weight1
- 208.64
- 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° | 119.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -19.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.03 | kJ/mol | Joback Calculated Property |
| log10WS | -3.56 | Crippen Calculated Property | |
| logPoct/wat | 2.518 | Crippen Calculated Property | |
| McVol | 153.170 | ml/mol | McGowan Calculated Property |
| Pc | 3110.57 | kPa | Joback Calculated Property |
| Inp | 1419.00 | NIST | |
| Tboil | 586.14 | K | Joback Calculated Property |
| Tc | 820.90 | K | Joback Calculated Property |
| Tfus | 386.72 | K | Joback Calculated Property |
| Vc | 0.573 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [333.25; 394.26] | J/mol×K | [586.14; 820.90] | 
|
| Cp,gas | 333.25 | J/mol×K | 586.14 | Joback Calculated Property |
| Cp,gas | 345.40 | J/mol×K | 625.27 | Joback Calculated Property |
| Cp,gas | 356.72 | J/mol×K | 664.39 | Joback Calculated Property |
| Cp,gas | 367.24 | J/mol×K | 703.52 | Joback Calculated Property |
| Cp,gas | 376.98 | J/mol×K | 742.65 | Joback Calculated Property |
| Cp,gas | 385.98 | J/mol×K | 781.77 | Joback Calculated Property |
| Cp,gas | 394.26 | J/mol×K | 820.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Chlorobenzoic acid, but-3-yn-2-yl ester.
Sources
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