- InChI
- InChI=1S/C39H77N/c1-6-7-8-21-27-36(2)29-24-31-38(4)33-26-34-39(5)32-25-30-37(3)28-22-19-17-15-13-11-9-10-12-14-16-18-20-23-35-40/h36-39H,6-34H2,1-5H3
- InChI Key
- KNMUUJSPBRLSGP-UHFFFAOYSA-N
- Formula
- C39H77N
- SMILES
-
CCCCCCC(C)CCCC(C)CCCC(C)CCCC(C
)CCCCCCCCCCCCCCCC#N - Molecular Weight1
- 560.04
- 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 | 1.4424 | Relay (1.0) Calculated Property | |
| ΔfG° | 400.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -800.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 84.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 177.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -13.08 | Relay (1.0) Calculated Property | |
| logPoct/wat | 14.387 | Crippen Calculated Property | |
| McVol | 561.750 | ml/mol | McGowan Calculated Property |
| Pc | 407.30 | kPa | Joback Calculated Property |
| Inp | [3855.00; 3855.00] |
|
|
| Inp | 3855.00 | NIST | |
| Inp | 3855.00 | NIST | |
| Tboil | 738.51 | K | Relay (1.0) Calculated Property |
| Tc | 943.14 | K | Relay (1.0) Calculated Property |
| Tfus | 290.71 | K | Relay (1.0) Calculated Property |
| Vc | 2.118 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [2147.33; 2334.89] | J/mol×K | [1192.04; 1581.68] |
|
| Cp,gas | 2147.33 | J/mol×K | 1192.04 | Joback Calculated Property |
| Cp,gas | 2184.65 | J/mol×K | 1256.98 | Joback Calculated Property |
| Cp,gas | 2218.58 | J/mol×K | 1321.92 | Joback Calculated Property |
| Cp,gas | 2249.83 | J/mol×K | 1386.86 | Joback Calculated Property |
| Cp,gas | 2279.15 | J/mol×K | 1451.80 | Joback Calculated Property |
| Cp,gas | 2307.25 | J/mol×K | 1516.74 | Joback Calculated Property |
| Cp,gas | 2334.89 | J/mol×K | 1581.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 16,20,24,28-Tetramethyl-tritriacontyl cyanide.
Sources
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