- InChI
- InChI=1S/C12H17NO/c1-3-13(2)12(14)10-9-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3
- InChI Key
- VZMRCYQQYXRRCJ-UHFFFAOYSA-N
- Formula
- C12H17NO
- SMILES
- CCN(C)C(=O)CCc1ccccc1
- Molecular Weight1
- 191.27
- 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 | 0.5363 | Relay (1.0) Calculated Property | |
| ΔfG° | 144.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -160.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.098 | Crippen Calculated Property | |
| McVol | 167.730 | ml/mol | McGowan Calculated Property |
| Pc | 2555.92 | kPa | Joback Calculated Property |
| Inp | [1879.00; 1879.00] |
|
|
| Inp | 1879.00 | NIST | |
| Inp | 1879.00 | NIST | |
| Tboil | 552.73 | K | Relay (1.0) Calculated Property |
| Tc | 763.31 | K | Relay (1.0) Calculated Property |
| Tfus | 263.50 | K | Relay (1.0) Calculated Property |
| Vc | 0.622 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [219.22; 546.94] | 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 | -4.52570e+01 | |||
| Coefficient B | 1.16084e+00 | |||
| Coefficient C | -7.54100e-04 | |||
| Coefficient D | 1.85460e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 219.22 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 279.25 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 332.01 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 378.08 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 418.05 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 452.51 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 482.04 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 507.23 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 528.67 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 546.94 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, 3-phenyl-N-ethyl-N-methyl-.
Sources
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