- InChI
- InChI=1S/C30H59N/c1-3-30(2)28-26-24-22-20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-23-25-27-29-31/h30H,3-28H2,1-2H3
- InChI Key
- SNYRMAGWMGAKRY-UHFFFAOYSA-N
- Formula
- C30H59N
- SMILES
-
CCC(C)CCCCCCCCCCCCCCCCCCCCCCCC
CC#N - Molecular Weight1
- 433.81
- 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 | 1.2663 | Relay (1.0) Calculated Property | |
| ΔfG° | 332.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -546.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 71.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 155.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.86 | Relay (1.0) Calculated Property | |
| logPoct/wat | 11.309 | Crippen Calculated Property | |
| McVol | 434.940 | ml/mol | McGowan Calculated Property |
| Pc | 590.55 | kPa | Joback Calculated Property |
| Inp | 3329.00 | NIST | |
| Tboil | 677.46 | K | Relay (1.0) Calculated Property |
| Tc | 892.53 | K | Relay (1.0) Calculated Property |
| Tfus | 324.76 | K | Relay (1.0) Calculated Property |
| Vc | 1.680 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [642.96; 1544.08] | 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 | -9.06400e+00 | |||
| Coefficient B | 2.79454e+00 | |||
| Coefficient C | -1.58040e-03 | |||
| Coefficient D | 3.39000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 642.96 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 796.79 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 934.70 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1057.75 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1167.01 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1263.56 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1348.47 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1422.81 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1487.66 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1544.08 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 26-Methyl-octacosyl cyanide.
Sources
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