- InChI
- InChI=1S/C22H47N/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(5-2)6-3/h4-22H2,1-3H3
- InChI Key
- MNOIOAHRVYPSPE-UHFFFAOYSA-N
- Formula
- C22H47N
- SMILES
- CCCCCCCCCCCCCCCCCCN(CC)CC
- Molecular Weight1
- 325.62
- 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 | 0.9198 | Relay (1.0) Calculated Property | |
| ΔfG° | 245.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -449.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 55.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.20 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.590 | Crippen Calculated Property | |
| McVol | 330.820 | ml/mol | McGowan Calculated Property |
| Pc | 900.72 | kPa | Joback Calculated Property |
| Inp | 2241.00 | NIST | |
| Tboil | 600.21 | K | Relay (1.0) Calculated Property |
| Tc | 768.94 | K | Relay (1.0) Calculated Property |
| Tfus | 270.69 | K | Relay (1.0) Calculated Property |
| Vc | 1.302 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [487.69; 1192.36] | 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 | -2.78010e+01 | |||
| Coefficient B | 2.21776e+00 | |||
| Coefficient C | -1.28560e-03 | |||
| Coefficient D | 2.88000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 487.69 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 608.64 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 716.80 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 813.08 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 898.40 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 973.66 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1039.78 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1097.66 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1148.21 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1192.36 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Octadecylamine, N,N-diethyl.
Sources
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