- InChI
- InChI=1S/C8H9NO/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10)
- InChI Key
- FZERHIULMFGESH-UHFFFAOYSA-N
- Formula
- C8H9NO
- SMILES
- CC(=O)Nc1ccccc1
- Molecular Weight1
- 135.16
- CAS
- 103-84-4
- Other Names
-
- ACETANILINE
- AN [Analgesic]
- Acetamidobenzene
- Acetanil
- Acetanilid
- Acetic acid anilide
- Acetoanilide
- Acetylaminobenzene
- Aniline, N-acetyl-
- Antifebrin
- Benzenamine, N-acetyl-
- N-Acetylaminobenzene
- N-Acetylaniline
- N-phenylacetamide
- N-phenylethanamide
- NSC 7636
- Phenalgene
- Phenalgin
- USAF EK-3
- acetanilide
- acetylaniline
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,solid : Solid phase heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- NFPA Fire : NFPA Fire Rating.
- NFPA Health : NFPA Health Rating.
- Pc : Critical Pressure (kPa).
- Psub : Sublimation pressure (kPa).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (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 | 0.4808 | Relay (1.0) Calculated Property | |
| ΔcH°solid | [-4224.88; -4224.80] | kJ/mol |
|
| ΔcH°solid | -4224.80 ± 1.00 | kJ/mol | NIST |
| ΔcH°solid | -4224.88 ± 0.93 | kJ/mol | NIST |
| ΔfG° | 89.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -120.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | [-209.50; -209.40] | kJ/mol |
|
| ΔfH°solid | -209.50 ± 1.50 | kJ/mol | NIST |
| ΔfH°solid | -209.40 ± 1.00 | kJ/mol | NIST |
| ΔfusH° | [21.44; 22.10] | kJ/mol |
|
| ΔfusH° | 21.44 | kJ/mol | Solid liquid equilibria for binary mixtures of N-phenylacetamide with 4-aminoacetophenone, 3-hydroxyacetophenone and 4-hydroxyacetophenone |
| ΔfusH° | 22.10 | kJ/mol | Vaporization and Sublimation Enthalpies of Acetanilide and Several Derivatives by Correlation Gas Chromatography |
| ΔvapH° | 64.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [8.18; 8.60] | eV |
|
| IE | 8.30 ± 0.10 | eV | NIST |
| IE | 8.60 | eV | NIST |
| IE | 8.18 ± 0.03 | eV | NIST |
| IE | 8.39 ± 0.10 | eV | NIST |
| IE | 8.46 | eV | NIST |
| IE | 8.46 ± 0.05 | eV | NIST |
| log10WS | [-1.40; -1.23] |
|
|
| log10WS | -1.23 | Aq. Solubility Prediction | |
| log10WS | -1.33 | Estimated Solubility | |
| log10WS | -1.40 | Rytting (2005) | |
| logPoct/wat | 1.645 | Crippen Calculated Property | |
| McVol | 111.370 | ml/mol | McGowan Calculated Property |
| NFPA Fire | 1 | KDB | |
| NFPA Health | 3 | KDB | |
| Pc | 4010.84 | kPa | Joback Calculated Property |
| Inp | [1358.00; 1362.00] |
|
|
| Inp | 1362.00 | NIST | |
| Inp | 1362.00 | NIST | |
| Inp | 1362.00 | NIST | |
| Inp | 1358.00 | NIST | |
| Tboil | [577.20; 578.15] | K |
|
| Tboil | 577.20 | K | NIST |
| Tboil | 578.15 ± 2.00 | K | NIST |
| Tc | 774.71 | K | Relay (1.0) Calculated Property |
| Tfus | [385.00; 390.00] | K |
|
| Tfus | 387.50 | K | The use of organic calibration standards in the enthalpy calibration of differential scanning calorimeters |
| Tfus | 387.47 | K | Aq. Solubility Prediction |
| Tfus | 387.15 ± 1.00 | K | NIST |
| Tfus | 387.35 ± 0.20 | K | NIST |
| Tfus | Outlier 385.00 ± 1.00 | K | NIST |
| Tfus | 387.32 ± 0.30 | K | NIST |
| Tfus | 387.55 ± 0.20 | K | NIST |
| Tfus | Outlier 390.00 ± 1.50 | K | NIST |
| Tfus | 388.00 ± 1.00 | K | NIST |
| Tfus | 388.00 ± 1.00 | K | NIST |
| Tfus | 388.00 ± 1.00 | K | NIST |
| Ttriple | 387.52 ± 0.01 | K | NIST |
| Vc | 0.398 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [437.09; 539.67] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 2.21222e+01 | |||
| Coefficient B | -7.49417e+03 | |||
| Coefficient C | -9.38710e+01 | |||
| Temperature range, min. | 437.09 | |||
| Temperature range, max. | 539.67 | |||
| Pvap | 1.33 | kPa | 437.09 | Calculated Property |
| Pvap | 2.69 | kPa | 448.49 | Calculated Property |
| Pvap | 5.19 | kPa | 459.89 | Calculated Property |
| Pvap | 9.64 | kPa | 471.28 | Calculated Property |
| Pvap | 17.25 | kPa | 482.68 | Calculated Property |
| Pvap | 29.86 | kPa | 494.08 | Calculated Property |
| Pvap | 50.15 | kPa | 505.48 | Calculated Property |
| Pvap | 81.91 | kPa | 516.87 | Calculated Property |
| Pvap | 130.39 | kPa | 528.27 | Calculated Property |
| Pvap | 202.67 | kPa | 539.67 | Calculated Property |
Similar Compounds
Find more compounds similar to Acetamide, N-phenyl-.
Mixtures
- 1-Octanol + Acetamide, N-phenyl-
- Acetophenone, 4'-amino- + Acetamide, N-phenyl-
- Ethanone, 1-(3-hydroxyphenyl)- + Acetamide, N-phenyl-
- Acetophenone, 4'-hydroxy- + Acetamide, N-phenyl-
- Carbon dioxide + Acetamide, N-phenyl-
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Solid liquid equilibria for binary mixtures of N-phenylacetamide with 4-aminoacetophenone, 3-hydroxyacetophenone and 4-hydroxyacetophenone
- Solubility predictions of acetanilide derivatives in water: Combining thermochemistry and thermodynamic modeling
- Calibration and test of an aneroid mini-bomb combustion calorimeter
- Partial molar volumes of some drug and pro-drug substances in 1-octanol at T = 298.15 K
- The use of organic calibration standards in the enthalpy calibration of differential scanning calorimeters
- Sublimation enthalpies of 9 substituted acetanilides at 298 K estimated by solution calorimetry approach
- Vaporization and Sublimation Enthalpies of Acetanilide and Several Derivatives by Correlation Gas Chromatography
- Experimental Measurements and Correlation of the Solubility of Three Primary Amides in Supercritical CO2: Acetanilide, Propanamide, and Butanamide
- Joback Method
- KDB
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- Aqueous and cosolvent solubility data for drug-like organic compounds
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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