- InChI
- InChI=1S/C9H6Cl2O/c1-2-5-12-9-4-3-7(10)6-8(9)11/h1,3-4,6H,5H2
- InChI Key
- KEIKGHHJUQTGSZ-UHFFFAOYSA-N
- Formula
- C9H6Cl2O
- SMILES
- C#CCOc1ccc(Cl)cc1Cl
- Molecular Weight1
- 201.05
- CAS
- 17061-90-4
- 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).
- 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° | 212.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 112.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.27 | kJ/mol | Joback Calculated Property |
| log10WS | -3.59 | Crippen Calculated Property | |
| logPoct/wat | 3.005 | Crippen Calculated Property | |
| McVol | 135.660 | ml/mol | McGowan Calculated Property |
| Pc | 3364.54 | kPa | Joback Calculated Property |
| Tboil | 529.36 | K | Joback Calculated Property |
| Tc | 765.22 | K | Joback Calculated Property |
| Tfus | 371.69 | K | Joback Calculated Property |
| Vc | 0.509 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [255.36; 305.20] | J/mol×K | [529.36; 765.22] | 
|
| Cp,gas | 255.36 | J/mol×K | 529.36 | Joback Calculated Property |
| Cp,gas | 265.13 | J/mol×K | 568.67 | Joback Calculated Property |
| Cp,gas | 274.29 | J/mol×K | 607.98 | Joback Calculated Property |
| Cp,gas | 282.85 | J/mol×K | 647.29 | Joback Calculated Property |
| Cp,gas | 290.85 | J/mol×K | 686.60 | Joback Calculated Property |
| Cp,gas | 298.29 | J/mol×K | 725.91 | Joback Calculated Property |
| Cp,gas | 305.20 | J/mol×K | 765.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Dichlorophenyl propargyl ether.
Sources
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