- 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
- 546.03
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.4091 | Relay (1.0) Calculated Property | |
| ΔfG° | 392.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -777.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 81.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 175.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.67 | eV | Relay (1.0) 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 | NIST | |
| Tboil | 731.06 | K | Relay (1.0) Calculated Property |
| Tc | 941.71 | K | Relay (1.0) Calculated Property |
| Tfus | 285.63 | K | Relay (1.0) Calculated Property |
| Vc | 2.065 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [2078.54; 2254.43] | J/mol×K | [1169.36; 1532.99] | 
|
| Cp,gas | 2078.54 | J/mol×K | 1169.36 | Joback Calculated Property |
| Cp,gas | 2113.80 | J/mol×K | 1229.97 | Joback Calculated Property |
| Cp,gas | 2145.91 | J/mol×K | 1290.57 | Joback Calculated Property |
| Cp,gas | 2175.45 | J/mol×K | 1351.18 | Joback Calculated Property |
| Cp,gas | 2203.00 | J/mol×K | 1411.78 | Joback Calculated Property |
| Cp,gas | 2229.13 | J/mol×K | 1472.39 | Joback Calculated Property |
| Cp,gas | 2254.43 | J/mol×K | 1532.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 18,22,26,30-Tetramethyl-tritriacontyl cyanide.
Sources
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