- InChI
- InChI=1S/C12H17NO/c1-2-10-13-12(14)9-8-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,13,14)
- InChI Key
- IYWLQMRIMWEQQC-UHFFFAOYSA-N
- Formula
- C12H17NO
- SMILES
- CCCNC(=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 | 0.6013 | Relay (1.0) Calculated Property | |
| ΔfG° | 123.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -189.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.145 | Crippen Calculated Property | |
| McVol | 167.730 | ml/mol | McGowan Calculated Property |
| Pc | 2595.13 | kPa | Joback Calculated Property |
| Inp | [1728.00; 1728.00] |
|
|
| Inp | 1728.00 | NIST | |
| Inp | 1728.00 | NIST | |
| Tboil | 550.67 | K | Relay (1.0) Calculated Property |
| Tc | 777.45 | K | Relay (1.0) Calculated Property |
| Tfus | 279.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.614 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [219.90; 545.80] | 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 | -3.57760e+01 | |||
| Coefficient B | 1.11312e+00 | |||
| Coefficient C | -6.90100e-04 | |||
| Coefficient D | 1.58560e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 219.90 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 278.67 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 330.63 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 376.28 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 416.13 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 450.67 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 480.40 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 505.84 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 527.47 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 545.80 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, 3-phenyl-N-propyl-.
Sources
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