- InChI
- InChI=1S/C11H15NO/c1-3-12-9(2)11(13)10-7-5-4-6-8-10/h4-9,12H,3H2,1-2H3
- InChI Key
- LYMHIBZGTAPASQ-UHFFFAOYSA-N
- Formula
- C11H15NO
- SMILES
- CCNC(C)C(=O)c1ccccc1
- Molecular Weight1
- 177.25
- Other Names
-
- Nordiethylpropion
- 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 | 0.4770 | Relay (1.0) Calculated Property | |
| ΔfG° | 112.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -102.10 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.36 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.867 | Crippen Calculated Property | |
| McVol | 153.640 | ml/mol | McGowan Calculated Property |
| Pc | 2893.62 | kPa | Joback Calculated Property |
| Tboil | 525.66 | K | Relay (1.0) Calculated Property |
| Tc | 738.01 | K | Relay (1.0) Calculated Property |
| Tfus | 341.15 | K | Relay (1.0) Calculated Property |
| Vc | 0.546 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [198.37; 494.75] | 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 | -3.65490e+01 | |||
| Coefficient B | 1.02404e+00 | |||
| Coefficient C | -6.38900e-04 | |||
| Coefficient D | 1.46160e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 198.37 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 252.24 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 299.80 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 341.50 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 377.82 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 409.21 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 436.14 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 459.06 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 478.44 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 494.75 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Ethylamino-1-phenylpropanone.
Sources
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