- InChI
- InChI=1S/C38H75N/c1-6-26-35(2)28-23-30-37(4)32-25-33-38(5)31-24-29-36(3)27-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-34-39/h35-38H,6-33H2,1-5H3
- InChI Key
- DJVXQHSHENJAMM-UHFFFAOYSA-N
- Formula
- C38H75N
- SMILES
-
CCCC(C)CCCC(C)CCCC(C)CCCC(C)CC
CCCCCCCCCCCCCCCC#N - Molecular Weight1
- 546.01
- 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° | 392.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -683.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 81.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.11 | kJ/mol | Joback Calculated Property |
| log10WS | -14.63 | Crippen Calculated Property | |
| logPoct/wat | 13.997 | Crippen Calculated Property | |
| McVol | 547.660 | ml/mol | McGowan Calculated Property |
| Pc | 423.55 | kPa | Joback Calculated Property |
| Inp | [3876.00; 3876.00] |
|
|
| Inp | 3876.00 | NIST | |
| Inp | 3876.00 | NIST | |
| Tboil | 1169.16 | K | Joback Calculated Property |
| Tc | 1532.73 | K | Joback Calculated Property |
| Tfus | 523.01 | K | Joback Calculated Property |
| Vc | 2.166 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [2078.42; 2254.32] | J/mol×K | [1169.16; 1532.73] |
|
| Cp,gas | 2078.42 | J/mol×K | 1169.16 | Joback Calculated Property |
| Cp,gas | 2113.68 | J/mol×K | 1229.75 | Joback Calculated Property |
| Cp,gas | 2145.80 | J/mol×K | 1290.35 | Joback Calculated Property |
| Cp,gas | 2175.34 | J/mol×K | 1350.94 | Joback Calculated Property |
| Cp,gas | 2202.89 | J/mol×K | 1411.54 | Joback Calculated Property |
| Cp,gas | 2229.03 | J/mol×K | 1472.13 | Joback Calculated Property |
| Cp,gas | 2254.32 | J/mol×K | 1532.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 18,22,26,30-Tetramethyl-tritriacontyl cyanide.
Sources
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