- InChI
- InChI=1S/C11H15NO/c1-2-12-11(13)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,12,13)
- InChI Key
- CUZZVRKUMNZZAY-UHFFFAOYSA-N
- Formula
- C11H15NO
- SMILES
- CCNC(=O)CCc1ccccc1
- Molecular Weight1
- 177.25
- 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 | 0.5545 | Relay (1.0) Calculated Property | |
| ΔfG° | 114.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -170.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.755 | Crippen Calculated Property | |
| McVol | 153.640 | ml/mol | McGowan Calculated Property |
| Pc | 2868.87 | kPa | Joback Calculated Property |
| Inp | [1663.00; 1663.00] |
|
|
| Inp | 1663.00 | NIST | |
| Inp | 1663.00 | NIST | |
| Tboil | 538.34 | K | Relay (1.0) Calculated Property |
| Tc | 771.97 | K | Relay (1.0) Calculated Property |
| Tfus | 280.23 | K | Relay (1.0) Calculated Property |
| Vc | 0.560 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [198.69; 494.21] | 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 | -3.48670e+01 | |||
| Coefficient B | 1.01812e+00 | |||
| Coefficient C | -6.35700e-04 | |||
| Coefficient D | 1.46660e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 198.69 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 252.25 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 299.55 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 341.05 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 377.22 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 408.51 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 435.39 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 458.32 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 477.78 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 494.21 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, 3-phenyl-N-ethyl-.
Sources
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