- InChI
- InChI=1S/C36H71N/c1-6-7-18-24-33(2)26-21-28-35(4)30-23-31-36(5)29-22-27-34(3)25-19-16-14-12-10-8-9-11-13-15-17-20-32-37/h33-36H,6-31H2,1-5H3
- InChI Key
- MHQFPPBLKBJQCX-UHFFFAOYSA-N
- Formula
- C36H71N
- SMILES
-
CCCCCC(C)CCCC(C)CCCC(C)CCCC(C)
CCCCCCCCCCCCCC#N - Molecular Weight1
- 517.97
- 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 | 1.3377 | Relay (1.0) Calculated Property | |
| ΔfG° | 375.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -738.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 76.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 166.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.59 | eV | Relay (1.0) Calculated Property |
| log10WS | -12.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 13.217 | Crippen Calculated Property | |
| McVol | 519.480 | ml/mol | McGowan Calculated Property |
| Pc | 459.12 | kPa | Joback Calculated Property |
| Inp | [3652.00; 3652.00] |
|
|
| Inp | 3652.00 | NIST | |
| Inp | 3652.00 | NIST | |
| Tboil | 719.78 | K | Relay (1.0) Calculated Property |
| Tc | 929.31 | K | Relay (1.0) Calculated Property |
| Tfus | 279.82 | K | Relay (1.0) Calculated Property |
| Vc | 1.956 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [769.30; 1855.24] | 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 | -1.95640e+01 | |||
| Coefficient B | 3.38230e+00 | |||
| Coefficient C | -1.91640e-03 | |||
| Coefficient D | 4.08900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 769.30 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 955.27 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1121.90 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1270.47 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1402.29 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1518.64 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1620.81 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1710.11 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1787.82 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1855.24 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 14,18,22,26-Tetramethyl-hentriacontyl cyanide.
Sources
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