- InChI
- InChI=1S/C33H65N/c1-3-4-5-6-21-24-27-30-33(2)31-28-25-22-19-17-15-13-11-9-7-8-10-12-14-16-18-20-23-26-29-32-34/h33H,3-31H2,1-2H3
- InChI Key
- JRSFWTBPVPXVQS-UHFFFAOYSA-N
- Formula
- C33H65N
- SMILES
-
CCCCCCCCCC(C)CCCCCCCCCCCCCCCCC
CCCCC#N - Molecular Weight1
- 475.88
- 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 | 1.3637 | Relay (1.0) Calculated Property | |
| ΔfG° | 357.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -603.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 79.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 167.98 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.88 | eV | Relay (1.0) Calculated Property |
| log10WS | -11.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 12.479 | Crippen Calculated Property | |
| McVol | 477.210 | ml/mol | McGowan Calculated Property |
| Pc | 515.83 | kPa | Joback Calculated Property |
| Inp | [3589.00; 3589.00] |
|
|
| Inp | 3589.00 | NIST | |
| Inp | 3589.00 | NIST | |
| Tboil | 696.17 | K | Relay (1.0) Calculated Property |
| Tc | 907.23 | K | Relay (1.0) Calculated Property |
| Tfus | 320.69 | K | Relay (1.0) Calculated Property |
| Vc | 1.839 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [706.60; 1698.85] | 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 | -1.17910e+01 | |||
| Coefficient B | 3.07954e+00 | |||
| Coefficient C | -1.74360e-03 | |||
| Coefficient D | 3.74700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 706.60 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 876.05 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1027.93 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1163.43 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1283.74 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1390.04 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1483.52 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1565.36 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1636.74 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1698.85 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 22-Methyl-hentriacontyl cyanide.
Sources
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