- InChI
- InChI=1S/C15H15NO/c1-16(12-13-8-4-2-5-9-13)15(17)14-10-6-3-7-11-14/h2-11H,12H2,1H3
- InChI Key
- UMDIHTNTVUNIDS-UHFFFAOYSA-N
- Formula
- C15H15NO
- SMILES
- CN(Cc1ccccc1)C(=O)c1ccccc1
- Molecular Weight1
- 225.29
- 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).
- Inp : Non-polar retention indices.
- I : 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 |
|---|---|---|---|
| ω | 0.5556 | Relay (1.0) Calculated Property | |
| ΔfG° | 282.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 46.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.959 | Crippen Calculated Property | |
| McVol | 186.240 | ml/mol | McGowan Calculated Property |
| Pc | 2670.78 | kPa | Joback Calculated Property |
| Inp | [1918.66; 1967.62] |
|
|
| Inp | 1924.86 | NIST | |
| Inp | 1918.66 | NIST | |
| Inp | 1967.62 | NIST | |
| Inp | 1924.86 | NIST | |
| I | [2634.98; 2732.45] |
|
|
| I | 2634.98 | NIST | |
| I | 2683.76 | NIST | |
| I | 2732.45 | NIST | |
| I | 2634.98 | NIST | |
| Tboil | 619.14 | K | Relay (1.0) Calculated Property |
| Tc | 871.00 | K | Relay (1.0) Calculated Property |
| Tfus | 327.58 | K | Relay (1.0) Calculated Property |
| Vc | 0.688 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [225.61; 583.19] | 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 | -8.18890e+01 | |||
| Coefficient B | 1.36692e+00 | |||
| Coefficient C | -9.48500e-04 | |||
| Coefficient D | 2.46660e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 225.61 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 293.91 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 353.24 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 404.40 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 448.15 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 485.28 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 516.57 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 542.80 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 564.75 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 583.19 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to N-benzyl-N-methyl-benzamide.
Sources
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