- InChI
- InChI=1S/C12H9ClO2/c1-2-3-4-9-15-12(14)10-5-7-11(13)8-6-10/h1,3-8H,9H2
- InChI Key
- BTORAKBXDGGVSR-UHFFFAOYSA-N
- Formula
- C12H9ClO2
- SMILES
- C#CC=CCOC(=O)c1ccc(Cl)cc1
- Molecular Weight1
- 220.65
- 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° | 210.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 82.63 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.60 | kJ/mol | Joback Calculated Property |
| log10WS | -3.72 | Crippen Calculated Property | |
| logPoct/wat | 2.686 | Crippen Calculated Property | |
| McVol | 162.960 | ml/mol | McGowan Calculated Property |
| Pc | 2937.70 | kPa | Joback Calculated Property |
| Inp | 1644.00 | NIST | |
| Tboil | 613.62 | K | Joback Calculated Property |
| Tc | 848.80 | K | Joback Calculated Property |
| Tfus | 407.91 | K | Joback Calculated Property |
| Vc | 0.615 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [358.38; 418.24] | J/mol×K | [613.62; 848.80] | 
|
| Cp,gas | 358.38 | J/mol×K | 613.62 | Joback Calculated Property |
| Cp,gas | 370.36 | J/mol×K | 652.82 | Joback Calculated Property |
| Cp,gas | 381.47 | J/mol×K | 692.01 | Joback Calculated Property |
| Cp,gas | 391.76 | J/mol×K | 731.21 | Joback Calculated Property |
| Cp,gas | 401.28 | J/mol×K | 770.41 | Joback Calculated Property |
| Cp,gas | 410.09 | J/mol×K | 809.60 | Joback Calculated Property |
| Cp,gas | 418.24 | J/mol×K | 848.80 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Chlorobenzoic acid, pent-2-en-4-ynyl ester.
Sources
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