- InChI
- InChI=1S/C8H7ClO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,1H3
- InChI Key
- UUWJBXKHMMQDED-UHFFFAOYSA-N
- Formula
- C8H7ClO
- SMILES
- CC(=O)c1cccc(Cl)c1
- Molecular Weight1
- 154.59
- CAS
- 99-02-5
- Other Names
-
- Ethanone, 1-(3-chlorophenyl)-
- m-Chloroacetophenone
- 3'-Chloroacetophenone
- 3'-Chloroacetylphenone
- 1-(3-Chlorophenyl)ethanone
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- EA : Electron affinity (eV).
- 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).
- 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 |
|---|---|---|---|
| PAff | 846.90 | kJ/mol | NIST |
| BasG | 815.10 | kJ/mol | NIST |
| EA | [0.58; 0.62] | eV |
|
| EA | 0.62 ± 0.09 | eV | NIST |
| EA | 0.58 ± 0.09 | eV | NIST |
| EA | 0.58 ± 0.01 | eV | NIST |
| ΔfG° | -21.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -111.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.47 | kJ/mol | Joback Calculated Property |
| IE | 9.50 ± 0.10 | eV | NIST |
| log10WS | -2.82 | Crippen Calculated Property | |
| logPoct/wat | 2.543 | Crippen Calculated Property | |
| McVol | 113.630 | ml/mol | McGowan Calculated Property |
| Pc | 3699.95 | kPa | Joback Calculated Property |
| Tboil | 501.20 | K | NIST |
| Tc | 734.29 | K | Joback Calculated Property |
| Tfus | 298.71 | K | Joback Calculated Property |
| Vc | 0.430 | m3/kmol | Joback 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 Acetophenone, 3'-chloro-.
Sources
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