- 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
- ω : Acentric Factor.
- 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 |
|---|---|---|---|
| ω | 0.5621 | Relay (1.0) Calculated Property | |
| PAff | 900.90 | kJ/mol | NIST |
| BasG | 869.90 | kJ/mol | NIST |
| ΔfG° | 56.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -181.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.30 | kJ/mol | Experimental and computational thermodynamic study of ortho-, meta-, and para-methylbenzamide |
| ΔvapH° | 68.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.14 | eV | NIST |
| log10WS | -2.16 | Relay (1.0) 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 | 531.08 | K | Relay (1.0) Calculated Property |
| Tc | 760.52 | K | Relay (1.0) Calculated Property |
| Tfus | 435.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.405 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [141.78; 335.48] | 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 | -1.01400e+01 | |||
| Coefficient B | 6.59320e-01 | |||
| Coefficient C | -4.00260e-04 | |||
| Coefficient D | 8.65600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 141.78 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 176.85 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 207.89 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 235.18 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 258.99 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 279.60 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 297.28 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 312.30 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 324.95 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 335.48 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 4-methyl-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- 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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