- InChI
- InChI=1S/C9H9ClO/c1-8(7-10)11-9-5-3-2-4-6-9/h2-7H,1H3/b8-7+
- InChI Key
- MXCCQVQTIWOPFS-BQYQJAHWSA-N
- Formula
- C9H9ClO
- SMILES
- CC(=CCl)Oc1ccccc1
- Molecular Weight1
- 168.62
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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.
- I : 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 |
|---|---|---|---|
| ω | 0.3943 | Relay (... Calculated Property | |
| ΔfG° | 92.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -75.73 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 17.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.43 | kJ/mol | Relay (... Calculated Property |
| IE | 8.04 | eV | Relay (... Calculated Property |
| log10WS | -3.05 | Relay (... Calculated Property | |
| logPoct/wat | 3.166 | Crippen Calculated Property | |
| McVol | 127.720 | ml/mol | McGowan Calculated Property |
| Pc | 3272.78 | kPa | Joback Calculated Property |
| Inp | 1365.50 | NIST | |
| I | 1828.50 | NIST | |
| Tboil | 486.23 | K | Relay (... Calculated Property |
| Tc | 718.99 | K | Relay (... Calculated Property |
| Tfus | 284.63 | K | Relay (... Calculated Property |
| Vc | 0.451 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [248.08; 312.42] | J/mol×K | [495.89; 722.51] | 
|
| Cp,gas | 248.08 | J/mol×K | 495.89 | Joback Calculated Property |
| Cp,gas | 260.76 | J/mol×K | 533.66 | Joback Calculated Property |
| Cp,gas | 272.60 | J/mol×K | 571.43 | Joback Calculated Property |
| Cp,gas | 283.65 | J/mol×K | 609.20 | Joback Calculated Property |
| Cp,gas | 293.94 | J/mol×K | 646.97 | Joback Calculated Property |
| Cp,gas | 303.52 | J/mol×K | 684.74 | Joback Calculated Property |
| Cp,gas | 312.42 | J/mol×K | 722.51 | Joback Calculated Property |
Similar Compounds
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Sources
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