- InChI
- InChI=1S/C36H71N/c1-5-6-7-22-27-34(2)29-25-31-36(4)32-26-30-35(3)28-23-20-18-16-14-12-10-8-9-11-13-15-17-19-21-24-33-37/h34-36H,5-32H2,1-4H3
- InChI Key
- HTBFLBWBWLBAKW-UHFFFAOYSA-N
- Formula
- C36H71N
- SMILES
-
CCCCCCC(C)CCCC(C)CCCC(C)CCCCCC
CCCCCCCCCCCC#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° | 378.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -637.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 79.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.04 | kJ/mol | Joback Calculated Property |
| log10WS | -14.03 | Crippen Calculated Property | |
| logPoct/wat | 13.361 | Crippen Calculated Property | |
| McVol | 519.480 | ml/mol | McGowan Calculated Property |
| Pc | 457.55 | kPa | Joback Calculated Property |
| Inp | 3744.00 | NIST | |
| Tboil | 1123.84 | K | Joback Calculated Property |
| Tc | 1448.17 | K | Joback Calculated Property |
| Tfus | 515.47 | K | Joback Calculated Property |
| Vc | 2.059 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1941.34; 2102.72] | J/mol×K | [1123.84; 1448.17] | 
|
| Cp,gas | 1941.34 | J/mol×K | 1123.84 | Joback Calculated Property |
| Cp,gas | 1973.76 | J/mol×K | 1177.89 | Joback Calculated Property |
| Cp,gas | 2003.45 | J/mol×K | 1231.95 | Joback Calculated Property |
| Cp,gas | 2030.81 | J/mol×K | 1286.00 | Joback Calculated Property |
| Cp,gas | 2056.21 | J/mol×K | 1340.06 | Joback Calculated Property |
| Cp,gas | 2080.05 | J/mol×K | 1394.11 | Joback Calculated Property |
| Cp,gas | 2102.72 | J/mol×K | 1448.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 18,22,26-Trimethyl-dotriacontyl cyanide.
Sources
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