- InChI
- InChI=1S/C8H8ClNO/c1-6(11)10-8-5-3-2-4-7(8)9/h2-5H,1H3,(H,10,11)
- InChI Key
- KNVQTRVKSOEHPU-UHFFFAOYSA-N
- Formula
- C8H8ClNO
- SMILES
- CC(=O)Nc1ccccc1Cl
- Molecular Weight1
- 169.61
- CAS
- 533-17-5
- Other Names
-
- 2'-Chloro acetanilide
- 2-Chloroacetanilide
- Acetamide, N-(2-chlorophenyl)-
- Acetanilide, 2'-chloro-
- N-(2-Chlorophenyl)acetamide
- 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).
- 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 | 0.4905 | Relay (... Calculated Property | |
| ΔfG° | 67.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -165.92 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 21.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.94 | kJ/mol | Relay (... Calculated Property |
| IE | [8.07; 8.55] | eV |
|
| IE | 8.55 | eV | NIST |
| IE | 8.07 ± 0.03 | eV | NIST |
| log10WS | -1.40 | Aq. Sol... | |
| logPoct/wat | 2.298 | Crippen Calculated Property | |
| McVol | 123.610 | ml/mol | McGowan Calculated Property |
| Pc | 3759.17 | kPa | Joback Calculated Property |
| Tboil | 534.84 | K | Relay (... Calculated Property |
| Tc | 801.69 | K | Relay (... Calculated Property |
| Tfus | 359.90 ± 0.50 | K | NIST |
| Vc | 0.440 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [257.93; 312.56] | J/mol×K | [555.57; 784.08] |
|
| Cp,gas | 257.93 | J/mol×K | 555.57 | Joback Calculated Property |
| Cp,gas | 268.79 | J/mol×K | 593.65 | Joback Calculated Property |
| Cp,gas | 278.91 | J/mol×K | 631.74 | Joback Calculated Property |
| Cp,gas | 288.31 | J/mol×K | 669.82 | Joback Calculated Property |
| Cp,gas | 297.04 | J/mol×K | 707.91 | Joback Calculated Property |
| Cp,gas | 305.11 | J/mol×K | 745.99 | Joback Calculated Property |
| Cp,gas | 312.56 | J/mol×K | 784.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to o-Chloroacetanilide.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
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