- InChI
- InChI=1S/C22H43NO/c1-3-5-7-9-13-19-23(20-14-10-8-6-4-2)22(24)18-17-21-15-11-12-16-21/h21H,3-20H2,1-2H3
- InChI Key
- XEVNPAKTLRPCEN-UHFFFAOYSA-N
- Formula
- C22H43NO
- SMILES
-
CCCCCCCN(CCCCCCC)C(=O)CCC1CCCC
1 - Molecular Weight1
- 337.58
- 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 | 0.9082 | Relay (1.0) Calculated Property | |
| ΔfG° | 152.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -594.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.90 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.726 | Crippen Calculated Property | |
| McVol | 321.530 | ml/mol | McGowan Calculated Property |
| Pc | 1048.01 | kPa | Joback Calculated Property |
| Inp | 2474.00 | NIST | |
| Tboil | 640.95 | K | Relay (1.0) Calculated Property |
| Tc | 846.20 | K | Relay (1.0) Calculated Property |
| Tfus | 278.46 | K | Relay (1.0) Calculated Property |
| Vc | 1.209 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [455.39; 1164.67] | 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 | -8.09260e+01 | |||
| Coefficient B | 2.32144e+00 | |||
| Coefficient C | -1.39430e-03 | |||
| Coefficient D | 3.18460e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 455.39 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 579.94 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 690.70 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 788.69 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 874.91 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 950.36 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1016.05 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1073.00 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1122.20 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1164.67 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Propanamide, N,N-diheptyl-3-cyclopentyl-.
Sources
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