- InChI
- InChI=1S/C14H23N/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12H,2-8,15H2,1H3
- InChI Key
- ORKQJTBYQZITLA-UHFFFAOYSA-N
- Formula
- C14H23N
- SMILES
- CCCCCCCCc1ccc(N)cc1
- Molecular Weight1
- 205.34
- CAS
- 16245-79-7
- Other Names
-
- p-Octylaniline
- 4-n-Octylaniline
- Benzenamine, 4-octyl-
- 4-(n-C8H17)C6H4NH2
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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).
- Tboilr : Boiling point at reduced pressure (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 |
|---|---|---|---|
| PAff | 894.50 | kJ/mol | NIST |
| BasG | 862.00 | kJ/mol | NIST |
| ΔfG° | 236.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -73.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.34 | kJ/mol | Joback Calculated Property |
| log10WS | -4.42 | Crippen Calculated Property | |
| logPoct/wat | 4.172 | Crippen Calculated Property | |
| McVol | 194.340 | ml/mol | McGowan Calculated Property |
| Pc | 2086.93 | kPa | Joback Calculated Property |
| Tboil | 623.91 | K | Joback Calculated Property |
| Tc | 827.35 | K | Joback Calculated Property |
| Tfus | 369.74 | K | Joback Calculated Property |
| Vc | 0.741 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [511.92; 601.66] | J/mol×K | [623.91; 827.35] | 
|
| Cp,gas | 511.92 | J/mol×K | 623.91 | Joback Calculated Property |
| Cp,gas | 529.14 | J/mol×K | 657.82 | Joback Calculated Property |
| Cp,gas | 545.40 | J/mol×K | 691.72 | Joback Calculated Property |
| Cp,gas | 560.74 | J/mol×K | 725.63 | Joback Calculated Property |
| Cp,gas | 575.21 | J/mol×K | 759.54 | Joback Calculated Property |
| Cp,gas | 588.84 | J/mol×K | 793.44 | Joback Calculated Property |
| Cp,gas | 601.66 | J/mol×K | 827.35 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [448.20; 456.50] | K | [1.70; 2.00] |
|
| Tboilr | 448.20 | K | 1.70 | NIST |
| Tboilr | 456.50 ± 1.50 | K | 2.00 | NIST |
Similar Compounds
Find more compounds similar to 4-Octylaniline.
Sources
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