- InChI
- InChI=1S/C16H17NO/c1-12-4-8-15(9-5-12)17(14(3)18)16-10-6-13(2)7-11-16/h4-11H,1-3H3
- InChI Key
- PFVHRXRSOITNHZ-UHFFFAOYSA-N
- Formula
- C16H17NO
- SMILES
-
CC(=O)N(c1ccc(C)cc1)c1ccc(C)cc
1 - Molecular Weight1
- 239.32
- 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 | 0.6515 | Relay (1.0) Calculated Property | |
| ΔfG° | 271.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -43.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.988 | Crippen Calculated Property | |
| McVol | 200.330 | ml/mol | McGowan Calculated Property |
| Pc | 2354.20 | kPa | Joback Calculated Property |
| Tboil | 624.35 | K | Relay (1.0) Calculated Property |
| Tc | 899.59 | K | Relay (1.0) Calculated Property |
| Tfus | 378.65 | K | Relay (1.0) Calculated Property |
| Vc | 0.730 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [251.92; 628.70] | 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 | -5.42000e+01 | |||
| Coefficient B | 1.34296e+00 | |||
| Coefficient C | -8.68820e-04 | |||
| Coefficient D | 2.08760e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 251.92 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 321.41 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 382.46 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 435.71 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 481.84 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 521.50 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 555.36 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 584.07 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 608.30 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 628.70 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
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Sources
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