- InChI
- InChI=1S/C9H7ClO/c1-2-7-11-9-6-4-3-5-8(9)10/h1,3-6H,7H2
- InChI Key
- CPJYMVHZHGCWOU-UHFFFAOYSA-N
- Formula
- C9H7ClO
- SMILES
- C#CCOc1ccccc1Cl
- Molecular Weight1
- 166.60
- CAS
- 17061-92-6
- 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° | 233.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 139.91 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.22 | kJ/mol | Joback Calculated Property |
| log10WS | -2.91 | Crippen Calculated Property | |
| logPoct/wat | 2.352 | Crippen Calculated Property | |
| McVol | 123.420 | ml/mol | McGowan Calculated Property |
| Pc | 3577.07 | kPa | Joback Calculated Property |
| Tboil | 486.95 | K | Joback Calculated Property |
| Tc | 716.36 | K | Joback Calculated Property |
| Tfus | 329.25 | K | Joback Calculated Property |
| Vc | 0.461 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [233.35; 289.00] | J/mol×K | [486.95; 716.36] | 
|
| Cp,gas | 233.35 | J/mol×K | 486.95 | Joback Calculated Property |
| Cp,gas | 244.21 | J/mol×K | 525.18 | Joback Calculated Property |
| Cp,gas | 254.40 | J/mol×K | 563.42 | Joback Calculated Property |
| Cp,gas | 263.95 | J/mol×K | 601.65 | Joback Calculated Property |
| Cp,gas | 272.89 | J/mol×K | 639.89 | Joback Calculated Property |
| Cp,gas | 281.23 | J/mol×K | 678.12 | Joback Calculated Property |
| Cp,gas | 289.00 | J/mol×K | 716.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to O-chlorophenyl propargyl ether.
Sources
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