- InChI
- InChI=1S/C35H69N/c1-4-5-6-7-22-25-29-34(2)31-28-32-35(3)30-26-23-20-18-16-14-12-10-8-9-11-13-15-17-19-21-24-27-33-36/h34-35H,4-32H2,1-3H3
- InChI Key
- OXTIDGRRPRHOPX-UHFFFAOYSA-N
- Formula
- C35H69N
- SMILES
-
CCCCCCCCC(C)CCCC(C)CCCCCCCCCCC
CCCCCCCCC#N - Molecular Weight1
- 503.94
- 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 | 1.3899 | Relay (1.0) Calculated Property | |
| ΔfG° | 372.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -667.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 80.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 171.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -12.14 | Relay (1.0) Calculated Property | |
| logPoct/wat | 13.115 | Crippen Calculated Property | |
| McVol | 505.390 | ml/mol | McGowan Calculated Property |
| Pc | 475.27 | kPa | Joback Calculated Property |
| Inp | [3712.00; 3712.00] |
|
|
| Inp | 3712.00 | NIST | |
| Inp | 3712.00 | NIST | |
| Tboil | 710.10 | K | Relay (1.0) Calculated Property |
| Tc | 920.82 | K | Relay (1.0) Calculated Property |
| Tfus | 308.96 | K | Relay (1.0) Calculated Property |
| Vc | 1.932 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [748.71; 1802.57] | 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 | -1.52910e+01 | |||
| Coefficient B | 3.27546e+00 | |||
| Coefficient C | -1.85560e-03 | |||
| Coefficient D | 3.98000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 748.71 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 928.87 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1090.33 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1234.34 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1362.17 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1475.07 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1574.30 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1661.12 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1736.79 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1802.57 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 20,24-Dimethyl-dotriacontyl cyanide.
Sources
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