- InChI
- InChI=1S/C34H67N/c1-4-5-6-7-8-15-18-21-24-28-33(2)30-27-31-34(3)29-25-22-19-16-13-11-9-10-12-14-17-20-23-26-32-35/h33-34H,4-31H2,1-3H3
- InChI Key
- SBUSRZPUTHJFHZ-UHFFFAOYSA-N
- Formula
- C34H67N
- SMILES
-
CCCCCCCCCCCC(C)CCCC(C)CCCCCCCC
CCCCCCCC#N - Molecular Weight1
- 489.90
- 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° | 363.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -590.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 78.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.98 | kJ/mol | Joback Calculated Property |
| log10WS | -13.44 | Crippen Calculated Property | |
| logPoct/wat | 12.725 | Crippen Calculated Property | |
| McVol | 491.300 | ml/mol | McGowan Calculated Property |
| Pc | 495.81 | kPa | Joback Calculated Property |
| Inp | 3605.00 | NIST | |
| Tboil | 1078.52 | K | Joback Calculated Property |
| Tc | 1369.67 | K | Joback Calculated Property |
| Tfus | 507.93 | K | Joback Calculated Property |
| Vc | 1.954 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1805.02; 1954.84] | J/mol×K | [1078.52; 1369.67] | 
|
| Cp,gas | 1805.02 | J/mol×K | 1078.52 | Joback Calculated Property |
| Cp,gas | 1834.94 | J/mol×K | 1127.05 | Joback Calculated Property |
| Cp,gas | 1862.53 | J/mol×K | 1175.57 | Joback Calculated Property |
| Cp,gas | 1888.05 | J/mol×K | 1224.10 | Joback Calculated Property |
| Cp,gas | 1911.77 | J/mol×K | 1272.62 | Joback Calculated Property |
| Cp,gas | 1933.94 | J/mol×K | 1321.15 | Joback Calculated Property |
| Cp,gas | 1954.84 | J/mol×K | 1369.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 16,20-Dimethyl-hentriacontyl cyanide.
Sources
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