- InChI
- InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)
- InChI Key
- KXDAEFPNCMNJSK-UHFFFAOYSA-N
- Formula
- C7H7NO
- SMILES
- NC(=O)c1ccccc1
- Molecular Weight1
- 121.14
- CAS
- 27208-38-4
- Other Names
-
- Benzoylamide
- Phenylcarboxyamide
- benzoic acid amide
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation 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 | 0.5288 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -3552.83 ± 0.50 | kJ/mol | NIST |
| ΔfG° | 58.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -100.90 ± 1.20 | kJ/mol | NIST |
| ΔfH°solid | -202.14 ± 0.60 | kJ/mol | NIST |
| ΔfusH° | [23.18; 84.40] | kJ/mol |
|
| ΔfusH° | 23.18 | kJ/mol | Thermodynamic Study of Benzamide, N-Methylbenzamide, and N,N-Dimethylbenzamide: Vapor Pressures, Phase Diagrams, and Hydrogen Bond Enthalpy |
| ΔfusH° | 84.40 | kJ/mol | Validation of the Vaporization Enthalpies of Some Simple Aliphatic Amides and Their Use in the Evaluation of the Vaporization Enthalpy of Valpromide and Valnoctamide |
| ΔsubH° | 101.70 ± 1.00 | kJ/mol | NIST |
| ΔvapH° | 64.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.33 | eV | Relay (1.0) Calculated Property |
| log10WS | [-0.99; -0.95] |
|
|
| log10WS | -0.99 | Aq. Solubility Prediction | |
| log10WS | -0.96 | Estimated Solubility | |
| log10WS | -0.95 | Rytting (2005) | |
| logPoct/wat | 0.786 | Crippen Calculated Property | |
| McVol | 97.280 | ml/mol | McGowan Calculated Property |
| Pc | 4829.24 | kPa | Joback Calculated Property |
| Tboil | 516.89 | K | Relay (1.0) Calculated Property |
| Tc | 759.57 | K | Relay (1.0) Calculated Property |
| Tfus | 401.25 | K | Aq. Solubility Prediction |
| Vc | 0.349 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [118.02; 286.93] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -2.35300e+01 | |||
| Coefficient B | 6.23800e-01 | |||
| Coefficient C | -4.12900e-04 | |||
| Coefficient D | 9.95600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 118.02 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 149.89 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 177.74 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 201.91 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 222.69 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 240.41 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 255.38 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 267.91 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 278.32 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 286.93 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide.
Mixtures
- Benzamide + 1-Octanol
- Benzamide + Carbon dioxide
- Benzamide + Carbon dioxide + Ethanol
- Benzamide + Carbon dioxide + Acetone
- Benzamide + Carbon dioxide + 1,2-Ethanediol
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Measurement and correlation of solubility of benzamide in supercritical carbon dioxide with and without cosolvent
- Partial molar volumes of some drug and pro-drug substances in 1-octanol at T = 298.15 K
- New method for determination of vaporization and sublimation enthalpy of aromatic compounds at 298.15 K using solution calorimetry technique and group-additivity scheme
- Thermodynamic Study of Benzamide, N-Methylbenzamide, and N,N-Dimethylbenzamide: Vapor Pressures, Phase Diagrams, and Hydrogen Bond Enthalpy
- Validation of the Vaporization Enthalpies of Some Simple Aliphatic Amides and Their Use in the Evaluation of the Vaporization Enthalpy of Valpromide and Valnoctamide
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- Aqueous and cosolvent solubility data for drug-like organic compounds
- McGowan Method
- NIST Webbook
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