- InChI
- InChI=1S/C33H65N/c1-3-4-5-6-7-18-21-24-27-30-33(2)31-28-25-22-19-16-14-12-10-8-9-11-13-15-17-20-23-26-29-32-34/h33H,3-31H2,1-2H3
- InChI Key
- IUPJCSSBXBHZBM-UHFFFAOYSA-N
- Formula
- C33H65N
- SMILES
-
CCCCCCCCCCCC(C)CCCCCCCCCCCCCCC
CCCCC#N - Molecular Weight1
- 475.88
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 357.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -564.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 79.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.14 | kJ/mol | Joback Calculated Property |
| log10WS | -13.26 | Crippen Calculated Property | |
| logPoct/wat | 12.479 | Crippen Calculated Property | |
| McVol | 477.210 | ml/mol | McGowan Calculated Property |
| Pc | 515.83 | kPa | Joback Calculated Property |
| Inp | [3589.00; 3589.00] |
|
|
| Inp | 3589.00 | NIST | |
| Inp | 3589.00 | NIST | |
| Tboil | 1056.08 | K | Joback Calculated Property |
| Tc | 1334.66 | K | Joback Calculated Property |
| Tfus | 511.66 | K | Joback Calculated Property |
| Vc | 1.903 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1737.14; 1883.28] | J/mol×K | [1056.08; 1334.66] |
|
| Cp,gas | 1737.14 | J/mol×K | 1056.08 | Joback Calculated Property |
| Cp,gas | 1766.19 | J/mol×K | 1102.51 | Joback Calculated Property |
| Cp,gas | 1793.05 | J/mol×K | 1148.94 | Joback Calculated Property |
| Cp,gas | 1817.97 | J/mol×K | 1195.37 | Joback Calculated Property |
| Cp,gas | 1841.16 | J/mol×K | 1241.80 | Joback Calculated Property |
| Cp,gas | 1862.86 | J/mol×K | 1288.23 | Joback Calculated Property |
| Cp,gas | 1883.28 | J/mol×K | 1334.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 20-Methyl-hentriacontyl cyanide.
Sources
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