- InChI
- InChI=1S/C34H67N/c1-6-22-31(2)24-19-26-33(4)28-21-29-34(5)27-20-25-32(3)23-17-15-13-11-9-7-8-10-12-14-16-18-30-35/h31-34H,6-29H2,1-5H3
- InChI Key
- ISHPSUZCJIFPAT-UHFFFAOYSA-N
- Formula
- C34H67N
- SMILES
-
CCCC(C)CCCC(C)CCCC(C)CCCC(C)CC
CCCCCCCCCCCC#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).
- 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 | 1.2691 | Relay (1.0) Calculated Property | |
| ΔfG° | 358.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -693.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 71.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 157.61 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.54 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 12.437 | Crippen Calculated Property | |
| McVol | 491.300 | ml/mol | McGowan Calculated Property |
| Pc | 499.36 | kPa | Joback Calculated Property |
| Inp | 3482.00 | NIST | |
| Tboil | 706.00 | K | Relay (1.0) Calculated Property |
| Tc | 918.19 | K | Relay (1.0) Calculated Property |
| Tfus | 276.47 | K | Relay (1.0) Calculated Property |
| Vc | 1.848 | 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 | [726.87; 1752.05] | 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 | -1.77460e+01 | |||
| Coefficient B | 3.19230e+00 | |||
| Coefficient C | -1.80760e-03 | |||
| Coefficient D | 3.85100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 726.87 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 902.43 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1059.74 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1200.01 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1324.47 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1434.32 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1530.78 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1615.08 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1688.43 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1752.05 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 14,18,22,26-Tetramethyl-nonacosyl cyanide.
Sources
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