- InChI
- InChI=1S/C25H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-26-25(27)22-21-24-19-16-15-17-20-24/h15-17,19-20H,2-14,18,21-23H2,1H3,(H,26,27)
- InChI Key
- KRGZTACOEPAZLB-UHFFFAOYSA-N
- Formula
- C25H43NO
- SMILES
-
CCCCCCCCCCCCCCCCNC(=O)CCc1cccc
c1 - Molecular Weight1
- 373.62
- 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 | 1.0902 | Relay (1.0) Calculated Property | |
| ΔfG° | 232.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -470.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 61.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 129.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.07 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.95 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.217 | Crippen Calculated Property | |
| McVol | 350.900 | ml/mol | McGowan Calculated Property |
| Pc | 969.88 | kPa | Joback Calculated Property |
| Inp | [3114.00; 3114.00] |
|
|
| Inp | 3114.00 | NIST | |
| Inp | 3114.00 | NIST | |
| Tboil | 658.72 | K | Relay (1.0) Calculated Property |
| Tc | 895.54 | K | Relay (1.0) Calculated Property |
| Tfus | 321.41 | K | Relay (1.0) Calculated Property |
| Vc | 1.328 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [495.68; 1216.49] | 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 | -4.75930e+01 | |||
| Coefficient B | 2.34812e+00 | |||
| Coefficient C | -1.39730e-03 | |||
| Coefficient D | 3.13260e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 495.68 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 622.11 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 734.64 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 834.26 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 921.98 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 998.76 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1065.62 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1123.53 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1173.49 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1216.49 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, 3-phenyl-N-hexadecyl-.
Sources
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