- InChI
- InChI=1S/C8H7ClO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,1H3
- InChI Key
- ZDOYHCIRUPHUHN-UHFFFAOYSA-N
- Formula
- C8H7ClO
- SMILES
- CC(=O)c1ccccc1Cl
- Molecular Weight1
- 154.59
- CAS
- 2142-68-9
- Other Names
-
- Acetophenone, 2'-chloro-
- o-Chloroacetophenone
- 2'-Chloroacetophenone
- o-Chloroacetophonone
- 1-(2-Chlorophenyl)ethanone
- 2-Chlorophenyl methyl ketone
- Methyl 2-chlorophenyl ketone
- o-Chlorophenyl methyl ketone
- 2-Chloro-1-acetylbenzene
- NSC 405474
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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.
- 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 | 0.4112 | Relay (... Calculated Property | |
| ΔfG° | -21.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -142.81 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 15.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.80 | kJ/mol | Relay (... Calculated Property |
| IE | 9.31 | eV | Relay (... Calculated Property |
| log10WS | -2.28 | Relay (... Calculated Property | |
| logPoct/wat | 2.543 | Crippen Calculated Property | |
| McVol | 113.630 | ml/mol | McGowan Calculated Property |
| Pc | 3699.95 | kPa | Joback Calculated Property |
| Inp | [1183.50; 1251.10] |
|
|
| Inp | 1183.50 | NIST | |
| Inp | 1236.60 | NIST | |
| Inp | 1240.70 | NIST | |
| Inp | 1245.40 | NIST | |
| Inp | 1193.80 | NIST | |
| Inp | 1251.10 | NIST | |
| Inp | 1222.00 | NIST | |
| Tboil | 497.07 | K | Relay (... Calculated Property |
| Tc | 742.64 | K | Relay (... Calculated Property |
| Tfus | 280.34 | K | Relay (... Calculated Property |
| Vc | 0.414 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [216.19; 270.00] | J/mol×K | [505.40; 734.29] |
|
| Cp,gas | 216.19 | J/mol×K | 505.40 | Joback Calculated Property |
| Cp,gas | 226.80 | J/mol×K | 543.55 | Joback Calculated Property |
| Cp,gas | 236.72 | J/mol×K | 581.70 | Joback Calculated Property |
| Cp,gas | 245.97 | J/mol×K | 619.84 | Joback Calculated Property |
| Cp,gas | 254.59 | J/mol×K | 657.99 | Joback Calculated Property |
| Cp,gas | 262.58 | J/mol×K | 696.14 | Joback Calculated Property |
| Cp,gas | 270.00 | J/mol×K | 734.29 | Joback Calculated Property |
| η | [0.0002938; 0.0021784] | Pa×s | [298.71; 505.40] |
|
| η | 0.0021784 | Pa×s | 298.71 | Joback Calculated Property |
| η | 0.0013126 | Pa×s | 333.16 | Joback Calculated Property |
| η | 0.0008697 | Pa×s | 367.61 | Joback Calculated Property |
| η | 0.0006184 | Pa×s | 402.06 | Joback Calculated Property |
| η | 0.0004640 | Pa×s | 436.50 | Joback Calculated Property |
| η | 0.0003631 | Pa×s | 470.95 | Joback Calculated Property |
| η | 0.0002938 | Pa×s | 505.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethanone, 1-(2-chlorophenyl)-.
Sources
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