- 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
- 205.35
- Other Names
-
- 4-(n-C8H17)C6H4NH2
- 4-n-Octylaniline
- Benzenamine, 4-octyl-
- p-Octylaniline
- ω : Acentric Factor.
- 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.7369 | Relay (1.0) Calculated Property | |
| PAff | 894.50 | kJ/mol | NIST |
| BasG | 862.00 | kJ/mol | NIST |
| ΔfG° | 236.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -90.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.77 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.95 | Relay (1.0) 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 | 593.79 | K | Relay (1.0) Calculated Property |
| Tc | 791.10 | K | Relay (1.0) Calculated Property |
| Tfus | 293.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.729 | m3/kmol | Relay (1.0) 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 |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [268.14; 656.01] | 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 | -2.29530e+01 | |||
| Coefficient B | 1.25732e+00 | |||
| Coefficient C | -7.45360e-04 | |||
| Coefficient D | 1.67000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 268.14 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 335.97 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 396.37 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 449.90 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 497.06 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 538.40 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 574.43 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 605.69 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 632.71 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 656.01 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-OCTYLANILINE.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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