- InChI
- InChI=1S/C38H75N/c1-6-7-20-26-35(2)28-23-30-37(4)32-25-33-38(5)31-24-29-36(3)27-21-18-16-14-12-10-8-9-11-13-15-17-19-22-34-39/h35-38H,6-33H2,1-5H3
- InChI Key
- BWXBVTOVNIYNMS-UHFFFAOYSA-N
- Formula
- C38H75N
- SMILES
-
CCCCCC(C)CCCC(C)CCCC(C)CCCC(C)
CCCCCCCCCCCCCCCC#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 | 1.4076 | Relay (1.0) Calculated Property | |
| ΔfG° | 392.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -780.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 81.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 175.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -12.80 | 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 | 3766.00 | NIST | |
| Tboil | 732.30 | K | Relay (1.0) Calculated Property |
| Tc | 940.83 | K | Relay (1.0) Calculated Property |
| Tfus | 284.15 | K | Relay (1.0) Calculated Property |
| Vc | 2.065 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [811.72; 1958.42] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -2.13820e+01 | |||
| Coefficient B | 3.57230e+00 | |||
| Coefficient C | -2.02520e-03 | |||
| Coefficient D | 4.32700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 811.72 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 1008.11 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1184.05 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1340.93 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1480.11 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1602.96 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1710.85 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1805.14 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1887.21 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1958.42 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 16,20,24,28-Tetramethyl-dotriacontyl cyanide.
Sources
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