- 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
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 336.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -207.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.28 | kJ/mol | Joback Calculated Property |
| log10WS | -7.76 | Crippen 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 | 779.61 | K | Joback Calculated Property |
| Tc | 966.32 | K | Joback Calculated Property |
| Tfus | 416.78 | K | Joback Calculated Property |
| Vc | 1.194 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [952.39; 1057.24] | J/mol×K | [779.61; 966.32] | 
|
| Cp,gas | 952.39 | J/mol×K | 779.61 | Joback Calculated Property |
| Cp,gas | 972.39 | J/mol×K | 810.73 | Joback Calculated Property |
| Cp,gas | 991.30 | J/mol×K | 841.85 | Joback Calculated Property |
| Cp,gas | 1009.19 | J/mol×K | 872.96 | Joback Calculated Property |
| Cp,gas | 1026.11 | J/mol×K | 904.08 | Joback Calculated Property |
| Cp,gas | 1042.11 | J/mol×K | 935.20 | Joback Calculated Property |
| Cp,gas | 1057.24 | J/mol×K | 966.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Aniline, n-hexadecyl-.
Sources
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