- InChI
- InChI=1S/C22H39N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-23-22-19-16-15-17-20-22/h15-17,19-20,23H,2-14,18,21H2,1H3
- InChI Key
- IXEGRINNWXKNJO-UHFFFAOYSA-N
- Formula
- C22H39N
- SMILES
- CCCCCCCCCCCCCCCCNc1ccccc1
- Molecular Weight1
- 317.55
- CAS
- 4439-42-3
- 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).
- 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 | 0.9602 | Relay (1.0) Calculated Property | |
| ΔfG° | 336.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -234.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.580 | Crippen Calculated Property | |
| McVol | 307.060 | ml/mol | McGowan Calculated Property |
| Pc | 1121.55 | kPa | Joback Calculated Property |
| Tboil | 644.23 | K | Relay (1.0) Calculated Property |
| Tc | 858.06 | K | Relay (1.0) Calculated Property |
| Tfus | 313.80 | K | Relay (1.0) Calculated Property |
| Vc | 1.173 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [431.11; 1072.69] | 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 | -5.22250e+01 | |||
| Coefficient B | 2.09112e+00 | |||
| Coefficient C | -1.25280e-03 | |||
| Coefficient D | 2.86600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 431.11 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 543.46 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 643.42 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 731.92 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 809.84 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 878.11 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 937.62 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 989.29 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1034.01 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1072.69 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Aniline, n-hexadecyl-.
Sources
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