- InChI
- InChI=1S/C36H75N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37(2)3/h4-36H2,1-3H3
- InChI Key
- SNCBTQALXOPLJS-UHFFFAOYSA-N
- Formula
- C36H75N
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
CCCCN(C)C - Molecular Weight1
- 521.99
- 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 | 1.4322 | Relay (1.0) Calculated Property | |
| ΔfG° | 363.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -731.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 92.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 179.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -11.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 13.051 | Crippen Calculated Property | |
| McVol | 528.080 | ml/mol | McGowan Calculated Property |
| Pc | 457.35 | kPa | Joback Calculated Property |
| Inp | [3703.00; 3703.00] |
|
|
| Inp | 3703.00 | NIST | |
| Inp | 3703.00 | NIST | |
| Tboil | 691.28 | K | Relay (1.0) Calculated Property |
| Tc | 859.16 | K | Relay (1.0) Calculated Property |
| Tfus | 337.20 | K | Relay (1.0) Calculated Property |
| Vc | 2.098 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [784.69; 1914.63] | 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 | -4.05270e+01 | |||
| Coefficient B | 3.54776e+00 | |||
| Coefficient C | -2.04720e-03 | |||
| Coefficient D | 4.54600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 784.69 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 978.50 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1151.89 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1306.30 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1443.16 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1563.92 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1670.01 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1762.86 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1843.93 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1914.63 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Tetratriacontylamine, N,N-dimethyl-.
Sources
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