- InChI
- InChI=1S/C34H67N/c1-3-4-5-6-7-8-19-22-25-28-31-34(2)32-29-26-23-20-17-15-13-11-9-10-12-14-16-18-21-24-27-30-33-35/h34H,3-32H2,1-2H3
- InChI Key
- VGTYWFIKOFXUSE-UHFFFAOYSA-N
- Formula
- C34H67N
- SMILES
-
CCCCCCCCCCCCC(C)CCCCCCCCCCCCCC
CCCCCC#N - Molecular Weight1
- 489.90
- 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 | 1.3987 | Relay (1.0) Calculated Property | |
| ΔfG° | 366.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -624.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 81.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 172.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -11.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 12.869 | Crippen Calculated Property | |
| McVol | 491.300 | ml/mol | McGowan Calculated Property |
| Pc | 494.05 | kPa | Joback Calculated Property |
| Inp | [3687.00; 3687.00] |
|
|
| Inp | 3687.00 | NIST | |
| Inp | 3687.00 | NIST | |
| Tboil | 702.35 | K | Relay (1.0) Calculated Property |
| Tc | 912.90 | K | Relay (1.0) Calculated Property |
| Tfus | 322.39 | K | Relay (1.0) Calculated Property |
| Vc | 1.894 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [727.81; 1750.44] | 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 | -1.27000e+01 | |||
| Coefficient B | 3.17454e+00 | |||
| Coefficient C | -1.79800e-03 | |||
| Coefficient D | 3.86600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 727.81 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 902.46 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1059.01 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1198.66 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1322.65 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1432.20 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1528.54 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1612.87 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1686.43 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1750.44 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 20-Methyl-dotriacontyl cyanide.
Sources
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