- InChI
- InChI=1S/C15H16N2O/c1-11-7-3-5-9-13(11)16-15(18)17-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H2,16,17,18)
- InChI Key
- WVYBLYKUAKXDLA-UHFFFAOYSA-N
- Formula
- C15H16N2O
- SMILES
- Cc1ccccc1NC(=O)Nc1ccccc1C
- Molecular Weight1
- 240.31
- 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 | 0.7088 | Relay (1.0) Calculated Property | |
| ΔfG° | 330.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -54.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.70 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.90 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.947 | Crippen Calculated Property | |
| McVol | 196.220 | ml/mol | McGowan Calculated Property |
| Pc | 2665.27 | kPa | Joback Calculated Property |
| Tboil | 607.79 | K | Relay (1.0) Calculated Property |
| Tc | 956.77 | K | Relay (1.0) Calculated Property |
| Tfus | 445.75 | K | Relay (1.0) Calculated Property |
| Vc | 0.700 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [247.57; 612.86] | 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 | -4.50200e+01 | |||
| Coefficient B | 1.27644e+00 | |||
| Coefficient C | -7.99020e-04 | |||
| Coefficient D | 1.80460e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 247.57 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 314.54 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 373.59 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 425.27 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 470.18 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 508.86 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 541.90 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 569.87 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 593.33 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 612.86 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Carbanilide, 2,2'-dimethyl-.
Sources
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