- InChI
- InChI=1S/C35H69N/c1-5-26-33(2)28-24-30-35(4)31-25-29-34(3)27-22-20-18-16-14-12-10-8-6-7-9-11-13-15-17-19-21-23-32-36/h33-35H,5-31H2,1-4H3
- InChI Key
- MPMPUEGTXLNYHE-UHFFFAOYSA-N
- Formula
- C35H69N
- SMILES
-
CCCC(C)CCCC(C)CCCC(C)CCCCCCCCC
CCCCCCCCCCC#N - Molecular Weight1
- 503.93
- 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).
- 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 | 1.3480 | Relay (1.0) Calculated Property | |
| ΔfG° | 369.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -689.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 77.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 167.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.65 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 12.971 | Crippen Calculated Property | |
| McVol | 505.390 | ml/mol | McGowan Calculated Property |
| Pc | 476.93 | kPa | Joback Calculated Property |
| Inp | [3660.00; 3660.00] |
|
|
| Inp | 3660.00 | NIST | |
| Inp | 3660.00 | NIST | |
| Tboil | 710.63 | K | Relay (1.0) Calculated Property |
| Tc | 923.51 | K | Relay (1.0) Calculated Property |
| Tfus | 295.16 | K | Relay (1.0) Calculated Property |
| Vc | 1.917 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [748.40; 1803.11] | 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 | -1.69730e+01 | |||
| Coefficient B | 3.28138e+00 | |||
| Coefficient C | -1.85880e-03 | |||
| Coefficient D | 3.97500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 748.40 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 928.86 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1090.58 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1234.79 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1362.77 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1475.77 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1575.05 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1661.86 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1737.46 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1803.11 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 20,24,28-Trimethyl-hentriacontyl cyanide.
Sources
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