- InChI
- InChI=1S/C31H55NO/c1-3-5-7-9-11-13-15-17-22-28-32(29-23-18-16-14-12-10-8-6-4-2)31(33)27-26-30-24-20-19-21-25-30/h19-21,24-25H,3-18,22-23,26-29H2,1-2H3
- InChI Key
- HGOHNEYPGWPFEF-UHFFFAOYSA-N
- Formula
- C31H55NO
- SMILES
-
CCCCCCCCCCCN(CCCCCCCCCCC)C(=O)
CCc1ccccc1 - Molecular Weight1
- 457.79
- 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).
- 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 | 1.2433 | Relay (1.0) Calculated Property | |
| ΔfG° | 304.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -557.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 74.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 135.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.509 | Crippen Calculated Property | |
| McVol | 435.440 | ml/mol | McGowan Calculated Property |
| Pc | 691.79 | kPa | Joback Calculated Property |
| Tboil | 698.04 | K | Relay (1.0) Calculated Property |
| Tc | 909.36 | K | Relay (1.0) Calculated Property |
| Tfus | 299.78 | K | Relay (1.0) Calculated Property |
| Vc | 1.652 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [622.28; 1527.17] | 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 | -6.25280e+01 | |||
| Coefficient B | 2.96584e+00 | |||
| Coefficient C | -1.78770e-03 | |||
| Coefficient D | 4.11560e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 622.28 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 781.20 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 922.48 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1047.44 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1157.37 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1253.57 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1337.35 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1410.01 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1472.85 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1527.17 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, N,N-diundecyl-3-phenyl-.
Sources
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