- InChI
- InChI=1S/C21H35NO/c1-3-5-7-12-18-22(19-13-8-6-4-2)21(23)17-16-20-14-10-9-11-15-20/h9-11,14-15H,3-8,12-13,16-19H2,1-2H3
- InChI Key
- DWWGRGZSSZIIPB-UHFFFAOYSA-N
- Formula
- C21H35NO
- SMILES
- CCCCCCN(CCCCCC)C(=O)CCc1ccccc1
- Molecular Weight1
- 317.51
- 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 | 0.8881 | Relay (1.0) Calculated Property | |
| ΔfG° | 220.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -340.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.608 | Crippen Calculated Property | |
| McVol | 294.540 | ml/mol | McGowan Calculated Property |
| Pc | 1238.09 | kPa | Joback Calculated Property |
| Inp | [2369.00; 2369.00] |
|
|
| Inp | 2369.00 | NIST | |
| Inp | 2369.00 | NIST | |
| Tboil | 631.97 | K | Relay (1.0) Calculated Property |
| Tc | 843.09 | K | Relay (1.0) Calculated Property |
| Tfus | 272.41 | K | Relay (1.0) Calculated Property |
| Vc | 1.100 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [410.15; 1011.26] | 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 | -5.34380e+01 | |||
| Coefficient B | 2.01584e+00 | |||
| Coefficient C | -1.24370e-03 | |||
| Coefficient D | 2.92560e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 410.15 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 517.02 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 611.71 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 695.14 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 768.25 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 831.96 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 887.19 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 934.86 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 975.91 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1011.26 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, N,N-dihexyl-3-phenyl-.
Sources
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