- InChI
- InChI=1S/C38H75N/c1-5-6-7-8-9-18-21-24-29-36(2)31-27-33-38(4)34-28-32-37(3)30-25-22-19-16-14-12-10-11-13-15-17-20-23-26-35-39/h36-38H,5-34H2,1-4H3
- InChI Key
- PEXVTANURKOUDL-UHFFFAOYSA-N
- Formula
- C38H75N
- SMILES
-
CCCCCCCCCCC(C)CCCC(C)CCCC(C)CC
CCCCCCCCCCCCCC#N - Molecular Weight1
- 546.01
- 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).
- 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 |
|---|---|---|---|
| ω | 1.4513 | Relay (1.0) Calculated Property | |
| ΔfG° | 394.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -754.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 85.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 178.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -12.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 14.141 | Crippen Calculated Property | |
| McVol | 547.660 | ml/mol | McGowan Calculated Property |
| Pc | 422.16 | kPa | Joback Calculated Property |
| Inp | [3824.00; 3824.00] |
|
|
| Inp | 3824.00 | NIST | |
| Inp | 3824.00 | NIST | |
| Tboil | 730.48 | K | Relay (1.0) Calculated Property |
| Tc | 936.62 | K | Relay (1.0) Calculated Property |
| Tfus | 303.87 | K | Relay (1.0) Calculated Property |
| Vc | 2.079 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [2078.62; 2259.42] | J/mol×K | [1169.60; 1540.26] |
|
| Cp,gas | 2078.62 | J/mol×K | 1169.60 | Joback Calculated Property |
| Cp,gas | 2114.76 | J/mol×K | 1231.38 | Joback Calculated Property |
| Cp,gas | 2147.68 | J/mol×K | 1293.15 | Joback Calculated Property |
| Cp,gas | 2177.99 | J/mol×K | 1354.93 | Joback Calculated Property |
| Cp,gas | 2206.31 | J/mol×K | 1416.71 | Joback Calculated Property |
| Cp,gas | 2233.25 | J/mol×K | 1478.49 | Joback Calculated Property |
| Cp,gas | 2259.42 | J/mol×K | 1540.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 16,20,24-Trimethyl-tritriacontyl cyanide.
Sources
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