- InChI
- InChI=1S/C8H7ClO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2
- InChI Key
- IMACFCSSMIZSPP-UHFFFAOYSA-N
- Formula
- C8H7ClO
- SMILES
- O=C(CCl)c1ccccc1
- Molecular Weight1
- 154.59
- CAS
- 532-27-4
- Other Names
-
- (2-Chloro-1-oxoethyl)benzene
- 1-Chloroacetophenone
- 1-Phenyl-2-chloro-1-ethanone
- 2-Chloro-1-phenylethanone
- 2-Chloroacetophenone
- Benzoylmethyl chloride
- CAF
- CAP
- CN
- CN (lacrimator)
- Chemical mace
- Chloracetophenone
- Chloroacetophenone
- Chloromethyl phenyl ketone
- Ethanone, 2-chloro-1-phenyl-
- Mace
- Mace (lacrimator)
- NCI-C55107
- NSC 41666
- Phenacyl chloride
- Phenyl chloromethyl ketone
- Tear Gas
- UN 1697
- a-Chloroacetophenone
- «alpha»-Chloroacetophenone
- «alpha»-Phenacyl chloride
- «omega»-Chloroacetophenone
- «alpha»-Chloroacetophenone
- «alpha»-Phenacyl chloride
- «omega»-Chloroacetophenone
- 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).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Tboilr : Boiling point at reduced pressure (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° | -11.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -100.24 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.81 | kJ/mol | Joback Calculated Property |
| IE | [9.44; 9.65] | eV |
|
| IE | 9.44 ± 0.05 | eV | NIST |
| IE | 9.65 ± 0.01 | eV | NIST |
| IE | 9.60 | eV | NIST |
| log10WS | -2.28 | Crippen Calculated Property | |
| logPoct/wat | 2.108 | Crippen Calculated Property | |
| McVol | 113.630 | ml/mol | McGowan Calculated Property |
| Pc | 3768.41 | kPa | Joback Calculated Property |
| Inp | [1230.00; 1283.00] |
|
|
| Inp | 1231.00 | NIST | |
| Inp | 1241.00 | NIST | |
| Inp | 1230.00 | NIST | |
| Inp | 1230.00 | NIST | |
| Inp | 1230.20 | NIST | |
| Inp | 1283.00 | NIST | |
| Inp | 1283.00 | NIST | |
| Inp | 1237.00 | NIST | |
| I | [2083.40; 2114.40] |
|
|
| I | 2101.00 | NIST | |
| I | 2113.00 | NIST | |
| I | Outlier 2083.40 | NIST | |
| I | 2114.40 | NIST | |
| I | 2114.00 | NIST | |
| I | 2101.00 | NIST | |
| I | 2114.00 | NIST | |
| Tboil | [517.70; 520.20] | K |
|
| Tboil | 517.70 | K | NIST |
| Tboil | 520.20 | K | NIST |
| Tc | 728.04 | K | Joback Calculated Property |
| Tfus | 286.19 | K | Joback Calculated Property |
| Vc | 0.430 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [216.55; 271.90] | J/mol×K | [500.42; 728.04] |
|
| Cp,gas | 216.55 | J/mol×K | 500.42 | Joback Calculated Property |
| Cp,gas | 227.58 | J/mol×K | 538.36 | Joback Calculated Property |
| Cp,gas | 237.84 | J/mol×K | 576.29 | Joback Calculated Property |
| Cp,gas | 247.37 | J/mol×K | 614.23 | Joback Calculated Property |
| Cp,gas | 256.20 | J/mol×K | 652.17 | Joback Calculated Property |
| Cp,gas | 264.36 | J/mol×K | 690.11 | Joback Calculated Property |
| Cp,gas | 271.90 | J/mol×K | 728.04 | Joback Calculated Property |
| η | [0.0003049; 0.0029389] | Pa×s | [286.19; 500.42] |
|
| η | 0.0029389 | Pa×s | 286.19 | Joback Calculated Property |
| η | 0.0016339 | Pa×s | 321.89 | Joback Calculated Property |
| η | 0.0010214 | Pa×s | 357.60 | Joback Calculated Property |
| η | 0.0006953 | Pa×s | 393.30 | Joback Calculated Property |
| η | 0.0005047 | Pa×s | 429.01 | Joback Calculated Property |
| η | 0.0003848 | Pa×s | 464.71 | Joback Calculated Property |
| η | 0.0003049 | Pa×s | 500.42 | Joback Calculated Property |
| ΔsubH | 90.70 | kJ/mol | 300.50 | NIST |
| ΔvapH | 87.70 | kJ/mol | 298.15 | Experim... |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 413.20 | K | 1.90 | NIST |
Similar Compounds
Find more compounds similar to Acetophenone, 2-chloro-.
Sources
- Crippen Method
- Crippen Method
- Experimental thermochemical study of 2-chloroacetophenone and 2,4'-dichloroacetophenone
- Joback Method
- McGowan Method
- NIST Webbook
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.