- 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
- 239.31
- CAS
- 32047-89-5
- 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° | 84.68 | 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 | 898.13 | K | Relay (1.0) Calculated Property |
| Tfus | 389.22 | K | Relay (1.0) Calculated Property |
| Vc | 0.730 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [529.62; 611.07] | J/mol×K | [695.11; 929.42] | 
|
| Cp,gas | 529.62 | J/mol×K | 695.11 | Joback Calculated Property |
| Cp,gas | 546.07 | J/mol×K | 734.16 | Joback Calculated Property |
| Cp,gas | 561.27 | J/mol×K | 773.21 | Joback Calculated Property |
| Cp,gas | 575.29 | J/mol×K | 812.26 | Joback Calculated Property |
| Cp,gas | 588.22 | J/mol×K | 851.31 | Joback Calculated Property |
| Cp,gas | 600.12 | J/mol×K | 890.36 | Joback Calculated Property |
| Cp,gas | 611.07 | J/mol×K | 929.42 | Joback Calculated Property |
Similar Compounds
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Sources
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