- InChI
- InChI=1S/C22H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-24-22-18-16-21(23)17-19-22/h16-19H,2-15,20,23H2,1H3
- InChI Key
- DETPMDIIFZGDAE-UHFFFAOYSA-N
- Formula
- C22H39NO
- SMILES
- CCCCCCCCCCCCCCCCOc1ccc(N)cc1
- Molecular Weight1
- 333.55
- CAS
- 7502-06-9
- Other Names
-
- p-Hexadecyloxyaniline
- 4-n-Hexadecyloxyaniline
- 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° | 198.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -370.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.55 | kJ/mol | Joback Calculated Property |
| log10WS | -7.50 | Crippen Calculated Property | |
| logPoct/wat | 7.129 | Crippen Calculated Property | |
| McVol | 312.930 | ml/mol | McGowan Calculated Property |
| Pc | 1130.62 | kPa | Joback Calculated Property |
| Tboil | 829.37 | K | Joback Calculated Property |
| Tc | 1023.89 | K | Joback Calculated Property |
| Tfus | 482.13 | K | Joback Calculated Property |
| Vc | 1.206 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [998.58; 1097.43] | J/mol×K | [829.37; 1023.89] | 
|
| Cp,gas | 998.58 | J/mol×K | 829.37 | Joback Calculated Property |
| Cp,gas | 1017.72 | J/mol×K | 861.79 | Joback Calculated Property |
| Cp,gas | 1035.73 | J/mol×K | 894.21 | Joback Calculated Property |
| Cp,gas | 1052.67 | J/mol×K | 926.63 | Joback Calculated Property |
| Cp,gas | 1068.57 | J/mol×K | 959.05 | Joback Calculated Property |
| Cp,gas | 1083.47 | J/mol×K | 991.47 | Joback Calculated Property |
| Cp,gas | 1097.43 | J/mol×K | 1023.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-(Hexadecyloxy)aniline.
Sources
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