- InChI
- InChI=1S/C14H13NO/c1-11-7-9-13(10-8-11)15-14(16)12-5-3-2-4-6-12/h2-10H,1H3,(H,15,16)
- InChI Key
- YUIHXKGKVSVIEL-UHFFFAOYSA-N
- Formula
- C14H13NO
- SMILES
- Cc1ccc(NC(=O)c2ccccc2)cc1
- Molecular Weight1
- 211.26
- CAS
- 582-78-5
- Other Names
-
- p-Benzotoluidide
- p-Toluoylaniline
- Benzamide, N-p-tolyl-
- Benzoic acid p-toluidide
- N-Benzoyl-p-toluidine
- 4'-Methylbenzanilide
- 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 | 0.6043 | Relay (1.0) Calculated Property | |
| ΔfG° | 242.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -10.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.90 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.247 | Crippen Calculated Property | |
| McVol | 172.150 | ml/mol | McGowan Calculated Property |
| Pc | 2956.90 | kPa | Joback Calculated Property |
| Tboil | 618.34 | K | Relay (1.0) Calculated Property |
| Tc | 911.23 | K | Relay (1.0) Calculated Property |
| Tfus | 395.75 | K | Relay (1.0) Calculated Property |
| Vc | 0.626 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [207.62; 527.42] | 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 | -5.72000e+01 | |||
| Coefficient B | 1.16472e+00 | |||
| Coefficient C | -7.63060e-04 | |||
| Coefficient D | 1.82960e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 207.62 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 267.45 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 319.85 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 365.41 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 404.71 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 438.31 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 466.81 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 490.77 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 510.78 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 527.42 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N-(4-methylphenyl)-.
Sources
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