- InChI
- InChI=1S/C32H63N/c1-3-4-5-6-7-20-23-26-29-32(2)30-27-24-21-18-16-14-12-10-8-9-11-13-15-17-19-22-25-28-31-33/h32H,3-30H2,1-2H3
- InChI Key
- WBJVNQITGCHJDG-UHFFFAOYSA-N
- Formula
- C32H63N
- SMILES
-
CCCCCCCCCCC(C)CCCCCCCCCCCCCCCC
CCCC#N - Molecular Weight1
- 461.85
- 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 | 1.3287 | Relay (1.0) Calculated Property | |
| ΔfG° | 349.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -582.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 76.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 163.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -11.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 12.089 | Crippen Calculated Property | |
| McVol | 463.120 | ml/mol | McGowan Calculated Property |
| Pc | 539.08 | kPa | Joback Calculated Property |
| Inp | [3487.00; 3487.00] |
|
|
| Inp | 3487.00 | NIST | |
| Inp | 3487.00 | NIST | |
| Tboil | 689.99 | K | Relay (1.0) Calculated Property |
| Tc | 901.48 | K | Relay (1.0) Calculated Property |
| Tfus | 318.96 | K | Relay (1.0) Calculated Property |
| Vc | 1.785 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [685.38; 1647.26] | 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 | -1.08820e+01 | |||
| Coefficient B | 2.98454e+00 | |||
| Coefficient C | -1.68920e-03 | |||
| Coefficient D | 3.62800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 685.38 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 849.63 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 996.85 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1128.20 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1244.83 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1347.88 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1438.50 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1517.84 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1587.04 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1647.26 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 20-Methyl-triacontyl cyanide.
Sources
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