- InChI
- InChI=1S/C39H77N/c1-5-6-7-8-9-16-19-22-25-30-37(2)32-28-34-39(4)35-29-33-38(3)31-26-23-20-17-14-12-10-11-13-15-18-21-24-27-36-40/h37-39H,5-35H2,1-4H3
- InChI Key
- OUMPAWHKSURNBE-UHFFFAOYSA-N
- Formula
- C39H77N
- SMILES
-
CCCCCCCCCCCC(C)CCCC(C)CCCC(C)C
CCCCCCCCCCCCCCC#N - Molecular Weight1
- 560.04
- 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 | 1.4863 | Relay (1.0) Calculated Property | |
| ΔfG° | 403.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -775.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 87.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 184.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -13.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 14.531 | Crippen Calculated Property | |
| McVol | 561.750 | ml/mol | McGowan Calculated Property |
| Pc | 405.99 | kPa | Joback Calculated Property |
| Inp | 3923.00 | NIST | |
| Tboil | 736.67 | K | Relay (1.0) Calculated Property |
| Tc | 944.89 | K | Relay (1.0) Calculated Property |
| Tfus | 300.86 | K | Relay (1.0) Calculated Property |
| Vc | 2.134 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [833.25; 2009.47] | 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 | -2.06090e+01 | |||
| Coefficient B | 3.66138e+00 | |||
| Coefficient C | -2.07640e-03 | |||
| Coefficient D | 4.45100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 833.25 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 1034.53 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1214.88 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1375.71 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1518.42 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1644.42 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1755.12 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1851.92 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1936.23 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 2009.47 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 16,20,24-Trimethyl-tetratriacontyl cyanide.
Sources
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