- InChI
- InChI=1S/C33H69N/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34(3)33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-33H2,1-3H3
- InChI Key
- KCMTVIZYKDBFFS-UHFFFAOYSA-N
- Formula
- C33H69N
- SMILES
-
CCCCCCCCCCCCCCCCN(C)CCCCCCCCCC
CCCCCC - Molecular Weight1
- 479.92
- Other Names
-
- 1-Hexadecanamine, N-hexadecyl-N-methyl-
- 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 | 1.3204 | Relay (1.0) Calculated Property | |
| ΔfG° | 337.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -674.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 84.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 157.91 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 11.881 | Crippen Calculated Property | |
| McVol | 485.810 | ml/mol | McGowan Calculated Property |
| Pc | 519.36 | kPa | Joback Calculated Property |
| Tboil | 670.83 | K | Relay (1.0) Calculated Property |
| Tc | 835.46 | K | Relay (1.0) Calculated Property |
| Tfus | 307.65 ± 2.00 | K | NIST |
| Vc | 1.917 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [721.04; 1759.86] | 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 | -3.78000e+01 | |||
| Coefficient B | 3.26276e+00 | |||
| Coefficient C | -1.88400e-03 | |||
| Coefficient D | 4.18900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 721.04 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 899.24 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1058.65 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1200.61 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1326.43 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1437.43 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1534.96 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1620.32 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1694.84 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1759.86 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Methylamine, N,N-bis(n.-hexadecyl)-.
Sources
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