- 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
- 55-21-0
- Other Names
-
- Benzoic acid amide
- Benzoylamide
- Phenylcarboxyamide
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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 standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (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).
- Inp : Non-polar retention indices.
- 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 | 892.10 | kJ/mol | NIST |
| BasG | 861.20 | kJ/mol | NIST |
| ΔcH°solid | [-3552.80; -3546.50] | kJ/mol |
|
| ΔcH°solid | -3552.80 ± 0.50 | kJ/mol | NIST |
| ΔcH°solid | -3550.10 ± 0.80 | kJ/mol | NIST |
| ΔcH°solid | -3546.50 ± 1.90 | kJ/mol | NIST |
| ΔcH°solid | -3552.20 | kJ/mol | NIST |
| ΔcH°solid | -3551.00 ± 3.00 | kJ/mol | NIST |
| ΔfG° | 58.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -30.07 | kJ/mol | Joback Calculated Property |
| ΔfH°solid | [-208.50; -202.14] | kJ/mol |
|
| ΔfH°solid | -202.14 ± 0.60 | kJ/mol | NIST |
| ΔfH°solid | -204.80 ± 0.80 | kJ/mol | NIST |
| ΔfH°solid | -208.50 ± 1.90 | kJ/mol | NIST |
| ΔfH°solid | -202.80 | kJ/mol | NIST |
| ΔfusH° | [23.18; 84.40] | kJ/mol |
|
| ΔfusH° | 23.18 | kJ/mol | Thermod... |
| ΔfusH° | 84.40 | kJ/mol | Validat... |
| ΔsubH° | 102.00 ± 1.00 | kJ/mol | NIST |
| ΔvapH° | 50.84 | kJ/mol | Joback Calculated Property |
| IE | [9.25; 9.60] | eV |
|
| IE | 9.25 | eV | NIST |
| IE | 9.60 | eV | NIST |
| IE | 9.40 ± 0.20 | eV | NIST |
| IE | 9.45 | eV | NIST |
| log10WS | [-0.99; -0.95] |
|
|
| log10WS | -0.99 | Aq. Sol... | |
| log10WS | -0.96 | Estimat... | |
| log10WS | -0.95 | Rytting... | |
| logPoct/wat | 0.786 | Crippen Calculated Property | |
| McVol | 97.280 | ml/mol | McGowan Calculated Property |
| Pc | 4829.24 | kPa | Joback Calculated Property |
| Inp | [1339.00; 1344.00] |
|
|
| Inp | 1339.00 | NIST | |
| Inp | 1344.00 | NIST | |
| Tboil | 561.00 | K | NIST |
| Tc | 749.85 | K | Joback Calculated Property |
| Tfus | [400.00; 403.00] | K |
|
| Tfus | 401.25 | K | Aq. Sol... |
| Tfus | 402.30 ± 0.20 | K | NIST |
| Tfus | 403.00 | K | NIST |
| Tfus | 400.00 ± 1.50 | K | NIST |
| Tfus | 400.40 ± 0.20 | K | NIST |
| Tfus | 400.00 ± 2.00 | K | NIST |
| Tfus | 403.00 ± 2.00 | K | NIST |
| Vc | 0.354 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [201.16; 254.04] | J/mol×K | [512.64; 749.85] |
|
| Cp,gas | 201.16 | J/mol×K | 512.64 | Joback Calculated Property |
| Cp,gas | 211.79 | J/mol×K | 552.18 | Joback Calculated Property |
| Cp,gas | 221.64 | J/mol×K | 591.71 | Joback Calculated Property |
| Cp,gas | 230.76 | J/mol×K | 631.25 | Joback Calculated Property |
| Cp,gas | 239.17 | J/mol×K | 670.78 | Joback Calculated Property |
| Cp,gas | 246.92 | J/mol×K | 710.32 | Joback Calculated Property |
| Cp,gas | 254.04 | J/mol×K | 749.85 | Joback Calculated Property |
| Cp,solid | 153.80 | J/mol×K | 298.15 | NIST |
| ΔfusH | [18.49; 23.76] | kJ/mol | [402.10; 403.00] |
|
| ΔfusH | 19.15 | kJ/mol | 402.10 | NIST |
| ΔfusH | 18.49 | kJ/mol | 402.30 | NIST |
| ΔfusH | 23.76 | kJ/mol | 403.00 | NIST |
| ΔsubH | 96.90 | kJ/mol | 333.50 | NIST |
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
- 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
- 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
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.