- InChI
- InChI=1S/C29H61N/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30(3)29-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-29H2,1-3H3
- InChI Key
- KUFYUMSBZMUWAN-UHFFFAOYSA-N
- Formula
- C29H61N
- SMILES
-
CCCCCCCCCCCCCCN(C)CCCCCCCCCCCC
CC - Molecular Weight1
- 423.80
- CAS
- 41961-81-3
- 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 | 1.1804 | Relay (1.0) Calculated Property | |
| ΔfG° | 304.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -591.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 73.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 138.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.47 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.320 | Crippen Calculated Property | |
| McVol | 429.450 | ml/mol | McGowan Calculated Property |
| Pc | 623.75 | kPa | Joback Calculated Property |
| Tboil | 646.01 | K | Relay (1.0) Calculated Property |
| Tc | 812.30 | K | Relay (1.0) Calculated Property |
| Tfus | 297.65 ± 2.00 | K | NIST |
| Vc | 1.698 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [636.19; 1553.50] | 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 | -3.41640e+01 | |||
| Coefficient B | 2.88276e+00 | |||
| Coefficient C | -1.66640e-03 | |||
| Coefficient D | 3.71300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 636.19 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 793.57 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 934.34 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1059.69 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1170.78 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1268.79 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1354.89 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1430.26 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1496.07 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1553.50 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Methylamine, N,N-bis(N.-tetradecyl)-.
Sources
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