- InChI
- InChI=1S/C20H33NO/c1-2-3-4-5-6-7-8-9-13-18-21-20(22)17-16-19-14-11-10-12-15-19/h10-12,14-15H,2-9,13,16-18H2,1H3,(H,21,22)
- InChI Key
- YJXVGBVPFPEOCQ-UHFFFAOYSA-N
- Formula
- C20H33NO
- SMILES
- CCCCCCCCCCCNC(=O)CCc1ccccc1
- Molecular Weight1
- 303.49
- 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 | 0.9132 | Relay (1.0) Calculated Property | |
| ΔfG° | 190.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -361.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.88 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.266 | Crippen Calculated Property | |
| McVol | 280.450 | ml/mol | McGowan Calculated Property |
| Pc | 1340.78 | kPa | Joback Calculated Property |
| Inp | [2578.00; 2578.00] |
|
|
| Inp | 2578.00 | NIST | |
| Inp | 2578.00 | NIST | |
| Tboil | 625.26 | K | Relay (1.0) Calculated Property |
| Tc | 861.04 | K | Relay (1.0) Calculated Property |
| Tfus | 307.66 | K | Relay (1.0) Calculated Property |
| Vc | 1.054 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [389.61; 958.53] | 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 | -4.30480e+01 | |||
| Coefficient B | 1.87312e+00 | |||
| Coefficient C | -1.12530e-03 | |||
| Coefficient D | 2.53760e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 389.61 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 490.02 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 579.25 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 658.12 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 727.42 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 787.96 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 840.54 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 885.96 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 925.02 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 958.53 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, 3-phenyl-N-undecyl-.
Sources
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