- InChI
- InChI=1S/C14H21NO/c1-3-5-11-15(4-2)14(16)12-13-9-7-6-8-10-13/h6-10H,3-5,11-12H2,1-2H3
- InChI Key
- UVWHMIMTPOWHCH-UHFFFAOYSA-N
- Formula
- C14H21NO
- SMILES
- CCCCN(CC)C(=O)Cc1ccccc1
- Molecular Weight1
- 219.32
- 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).
- Inp : Non-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 | 0.6071 | Relay (1.0) Calculated Property | |
| ΔfG° | 161.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -200.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.878 | Crippen Calculated Property | |
| McVol | 195.910 | ml/mol | McGowan Calculated Property |
| Pc | 2123.64 | kPa | Joback Calculated Property |
| Inp | [2036.00; 2036.00] |
|
|
| Inp | 2036.00 | NIST | |
| Inp | 2036.00 | NIST | |
| Tboil | 576.66 | K | Relay (1.0) Calculated Property |
| Tc | 778.17 | K | Relay (1.0) Calculated Property |
| Tfus | 273.51 | K | Relay (1.0) Calculated Property |
| Vc | 0.719 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [261.65; 650.12] | 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 | -4.70750e+01 | |||
| Coefficient B | 1.35084e+00 | |||
| Coefficient C | -8.62900e-04 | |||
| Coefficient D | 2.09260e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 261.65 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 332.09 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 394.16 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 448.54 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 495.87 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 536.83 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 572.07 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 602.26 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 628.06 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 650.13 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Acetamide, 2-phenyl-N-butyl-N-ethyl-.
Sources
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