- InChI
- InChI=1S/C8H8ClNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)
- InChI Key
- GGUOCFNAWIODMF-UHFFFAOYSA-N
- Formula
- C8H8ClNO
- SMILES
- CC(=O)Nc1ccc(Cl)cc1
- Molecular Weight1
- 169.61
- CAS
- 539-03-7
- Other Names
-
- 4'-Chloroacetanilide
- 4-Chloroacetanilide
- Acet-p-chloroanilide
- Acetanilide, 4'-chloro-
- Acetic acid-4-chloroanilide
- Acetic-4-chloroanilide
- N(4-chlorophenyl)ethanamide
- N-(4-Chlorophenyl)acetamide
- N-(p-Chlorophenyl)acetamide
- N-Acetyl-4-chloroaniline
- N-Acetyl-p-chloroaniline
- NSC 40563
- ethanamide, N(4-chlorophenyl)-
- p-Chloroacetanilide
- p-Chloroacetoanilide
- para-chloroacetanilide
- 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 |
|---|---|---|---|
| ΔfG° | 67.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -58.24 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.91 | kJ/mol | Joback Calculated Property |
| IE | [8.07; 8.30] | eV |
|
| IE | 8.07 ± 0.03 | eV | NIST |
| IE | 8.30 ± 0.20 | eV | NIST |
| log10WS | [-2.84; -2.84] |
|
|
| log10WS | -2.84 | Aq. Sol... | |
| log10WS | -2.84 | Estimat... | |
| logPoct/wat | 2.298 | Crippen Calculated Property | |
| McVol | 123.610 | ml/mol | McGowan Calculated Property |
| Pc | 3759.17 | kPa | Joback Calculated Property |
| Tboil | 555.57 | K | Joback Calculated Property |
| Tc | 784.08 | K | Joback Calculated Property |
| Tfus | [448.80; 451.82] | K |
|
| Tfus | 451.82 | K | Aq. Sol... |
| Tfus | 448.80 | K | Thermod... |
| Tfus | 451.60 ± 0.50 | K | NIST |
| Vc | 0.466 | m3/kmol | Joback 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 Acetamide, N-(4-chlorophenyl)-.
Mixtures
- Ethanol + Acetamide, N-(4-chlorophenyl)-
- Isopropyl Alcohol + Acetamide, N-(4-chlorophenyl)-
- Acetamide, N-(4-chlorophenyl)- + 1-Butanol
- Acetamide, N-(4-chlorophenyl)- + 1-Pentanol
Sources
- Crippen Method
- Thermodynamic properties of paracetamol impurities 4-nitrophenol and 4'-chloroacetanilide and the impact of such impurities on the crystallisation of paracetamol from solution
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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