- InChI
- InChI=1S/C8H9NO/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H2,9,10)
- InChI Key
- UHBGYFCCKRAEHA-UHFFFAOYSA-N
- Formula
- C8H9NO
- SMILES
- Cc1ccc(C(N)=O)cc1
- Molecular Weight1
- 135.16
- CAS
- 619-55-6
- Other Names
-
- 4-methylbenzamide
- p-Tolylamide
- p-methylbenzamide
- p-toluamide
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (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).
- 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 |
|---|---|---|---|
| PAff | 900.90 | kJ/mol | NIST |
| BasG | 869.90 | kJ/mol | NIST |
| ΔfG° | 56.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -62.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.30 | kJ/mol | Experim... |
| ΔvapH° | 53.73 | kJ/mol | Joback Calculated Property |
| IE | 9.14 | eV | NIST |
| log10WS | -2.12 | Crippen Calculated Property | |
| logPoct/wat | 1.094 | Crippen Calculated Property | |
| McVol | 111.370 | ml/mol | McGowan Calculated Property |
| Pc | 4162.33 | kPa | Joback Calculated Property |
| Tboil | 540.50 | K | Joback Calculated Property |
| Tc | 774.37 | K | Joback Calculated Property |
| Tfus | 352.05 | K | Joback Calculated Property |
| Vc | 0.410 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [242.96; 300.60] | J/mol×K | [540.50; 774.37] | 
|
| Cp,gas | 242.96 | J/mol×K | 540.50 | Joback Calculated Property |
| Cp,gas | 254.36 | J/mol×K | 579.48 | Joback Calculated Property |
| Cp,gas | 265.00 | J/mol×K | 618.46 | Joback Calculated Property |
| Cp,gas | 274.92 | J/mol×K | 657.43 | Joback Calculated Property |
| Cp,gas | 284.13 | J/mol×K | 696.41 | Joback Calculated Property |
| Cp,gas | 292.68 | J/mol×K | 735.39 | Joback Calculated Property |
| Cp,gas | 300.60 | J/mol×K | 774.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 4-methyl-.
Sources
- Crippen Method
- Crippen Method
- Experimental and computational thermodynamic study of ortho-, meta-, and para-methylbenzamide
- Joback Method
- McGowan Method
- NIST Webbook
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