- InChI
- InChI=1S/C29H51NO/c1-3-5-7-9-11-13-15-20-26-30(27-21-16-14-12-10-8-6-4-2)29(31)25-24-28-22-18-17-19-23-28/h17-19,22-23H,3-16,20-21,24-27H2,1-2H3
- InChI Key
- XVDHBPPZWJVSNZ-UHFFFAOYSA-N
- Formula
- C29H51NO
- SMILES
-
CCCCCCCCCCN(CCCCCCCCCC)C(=O)CC
c1ccccc1 - Molecular Weight1
- 429.72
- 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 | 1.1731 | Relay (1.0) Calculated Property | |
| ΔfG° | 287.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -514.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 69.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 127.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.729 | Crippen Calculated Property | |
| McVol | 407.260 | ml/mol | McGowan Calculated Property |
| Pc | 767.34 | kPa | Joback Calculated Property |
| Inp | 3307.00 | NIST | |
| Tboil | 685.42 | K | Relay (1.0) Calculated Property |
| Tc | 897.57 | K | Relay (1.0) Calculated Property |
| Tfus | 295.08 | K | Relay (1.0) Calculated Property |
| Vc | 1.541 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [579.86; 1423.99] | 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 | -6.07100e+01 | |||
| Coefficient B | 2.77584e+00 | |||
| Coefficient C | -1.67890e-03 | |||
| Coefficient D | 3.87760e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 579.86 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 728.36 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 860.33 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 976.98 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1079.54 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1169.25 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1247.32 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1314.98 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1373.46 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1423.99 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, N,N-didecyl-3-phenyl-.
Sources
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