- InChI
- InChI=1S/C40H79N/c1-6-7-8-19-22-28-37(2)30-25-32-39(4)34-27-35-40(5)33-26-31-38(3)29-23-20-17-15-13-11-9-10-12-14-16-18-21-24-36-41/h37-40H,6-35H2,1-5H3
- InChI Key
- BCHKRABWCXVGKY-UHFFFAOYSA-N
- Formula
- C40H79N
- SMILES
-
CCCCCCCC(C)CCCC(C)CCCC(C)CCCC(
C)CCCCCCCCCCCCCCCC#N - Molecular Weight1
- 574.08
- 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 | 1.4774 | Relay (1.0) Calculated Property | |
| ΔfG° | 409.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -821.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 86.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 184.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -13.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 14.777 | Crippen Calculated Property | |
| McVol | 575.840 | ml/mol | McGowan Calculated Property |
| Pc | 391.96 | kPa | Joback Calculated Property |
| Inp | [3945.00; 3945.00] |
|
|
| Inp | 3945.00 | NIST | |
| Inp | 3945.00 | NIST | |
| Tboil | 744.75 | K | Relay (1.0) Calculated Property |
| Tc | 951.99 | K | Relay (1.0) Calculated Property |
| Tfus | 287.97 | K | Relay (1.0) Calculated Property |
| Vc | 2.173 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [854.15; 2061.60] | 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 | -2.32000e+01 | |||
| Coefficient B | 3.76230e+00 | |||
| Coefficient C | -2.13400e-03 | |||
| Coefficient D | 4.56500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 854.15 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 1060.94 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1246.21 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1411.39 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1557.93 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1687.28 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1800.88 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1900.17 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1986.60 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 2061.60 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 16,20,24,28-Tetramethyl-tetratriacontyl cyanide.
Sources
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