- InChI
- InChI=1S/C36H71N/c1-4-5-6-7-8-9-14-17-20-23-26-30-35(2)32-29-33-36(3)31-27-24-21-18-15-12-10-11-13-16-19-22-25-28-34-37/h35-36H,4-33H2,1-3H3
- InChI Key
- QRAXTXRNCMVZKI-UHFFFAOYSA-N
- Formula
- C36H71N
- SMILES
-
CCCCCCCCCCCCCC(C)CCCC(C)CCCCCC
CCCCCCCCCC#N - Molecular Weight1
- 517.96
- 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° | 380.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -632.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 83.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.43 | kJ/mol | Joback Calculated Property |
| log10WS | -14.28 | Crippen Calculated Property | |
| logPoct/wat | 13.505 | Crippen Calculated Property | |
| McVol | 519.480 | ml/mol | McGowan Calculated Property |
| Pc | 455.99 | kPa | Joback Calculated Property |
| Inp | [3803.00; 3803.00] |
|
|
| Inp | 3803.00 | NIST | |
| Inp | 3803.00 | NIST | |
| Tboil | 1124.28 | K | Joback Calculated Property |
| Tc | 1454.36 | K | Joback Calculated Property |
| Tfus | 530.47 | K | Joback Calculated Property |
| Vc | 2.066 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1941.40; 2106.64] | J/mol×K | [1124.28; 1454.36] |
|
| Cp,gas | 1941.40 | J/mol×K | 1124.28 | Joback Calculated Property |
| Cp,gas | 1974.53 | J/mol×K | 1179.29 | Joback Calculated Property |
| Cp,gas | 2004.88 | J/mol×K | 1234.31 | Joback Calculated Property |
| Cp,gas | 2032.86 | J/mol×K | 1289.32 | Joback Calculated Property |
| Cp,gas | 2058.87 | J/mol×K | 1344.33 | Joback Calculated Property |
| Cp,gas | 2083.33 | J/mol×K | 1399.35 | Joback Calculated Property |
| Cp,gas | 2106.64 | J/mol×K | 1454.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 16,20-Dimethyl-tritriacontyl cyanide.
Sources
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