- InChI
- InChI=1S/C21H43N/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-22-20-4-2/h4,22H,2-3,5-21H2,1H3
- InChI Key
- NZDBTPVECFIJKC-UHFFFAOYSA-N
- Formula
- C21H43N
- SMILES
- C=CCNCCCCCCCCCCCCCCCCCC
- Molecular Weight1
- 309.58
- 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 | 0.9095 | Relay (1.0) Calculated Property | |
| ΔfG° | 303.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -322.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 53.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.66 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.024 | Crippen Calculated Property | |
| McVol | 312.430 | ml/mol | McGowan Calculated Property |
| Pc | 989.51 | kPa | Joback Calculated Property |
| Inp | [1088.00; 1088.00] |
|
|
| Inp | 1088.00 | NIST | |
| Inp | 1088.00 | NIST | |
| Tboil | 630.34 | K | Relay (1.0) Calculated Property |
| Tc | 781.84 | K | Relay (1.0) Calculated Property |
| Tfus | 303.10 | K | Relay (1.0) Calculated Property |
| Vc | 1.203 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [457.35; 1111.12] | 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 | -2.04020e+01 | |||
| Coefficient B | 2.05502e+00 | |||
| Coefficient C | -1.19010e-03 | |||
| Coefficient D | 2.66600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 457.35 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 569.47 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 669.76 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 759.05 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 838.19 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 908.02 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 969.39 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1023.13 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1070.09 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1111.12 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
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Sources
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