- InChI
- InChI=1S/C12H19N/c1-2-3-4-5-6-11-7-9-12(13)10-8-11/h7-10H,2-6,13H2,1H3
- InChI Key
- OVEMTTZEBOCJDV-UHFFFAOYSA-N
- Formula
- C12H19N
- SMILES
- CCCCCCc1ccc(N)cc1
- Molecular Weight1
- 177.29
- CAS
- 33228-45-4
- Other Names
-
- 4-Hexylaniline
- Aniline, (p-hexyl)-
- Benzenamine, 4-hexyl-
- p-Hexylaniline
- p-n-Hexylaniline
- 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).
- Pvap : Vapor 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 |
|---|---|---|---|
| ΔfG° | 219.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -32.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.89 | kJ/mol | Joback Calculated Property |
| log10WS | -3.58 | Crippen Calculated Property | |
| logPoct/wat | 3.392 | Crippen Calculated Property | |
| McVol | 166.160 | ml/mol | McGowan Calculated Property |
| Pc | 2507.52 | kPa | Joback Calculated Property |
| Tboil | 555.20 | K | NIST |
| Tc | 787.94 | K | Joback Calculated Property |
| Tfus | 347.20 | K | Joback Calculated Property |
| Vc | 0.628 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [410.83; 494.69] | J/mol×K | [578.15; 787.94] | 
|
| Cp,gas | 410.83 | J/mol×K | 578.15 | Joback Calculated Property |
| Cp,gas | 426.97 | J/mol×K | 613.12 | Joback Calculated Property |
| Cp,gas | 442.19 | J/mol×K | 648.08 | Joback Calculated Property |
| Cp,gas | 456.54 | J/mol×K | 683.05 | Joback Calculated Property |
| Cp,gas | 470.05 | J/mol×K | 718.01 | Joback Calculated Property |
| Cp,gas | 482.75 | J/mol×K | 752.98 | Joback Calculated Property |
| Cp,gas | 494.69 | J/mol×K | 787.94 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 379.50 ± 1.50 | K | 0.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [407.00; 569.41] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.50783e+01 | |||
| Coefficient B | -4.66987e+03 | |||
| Coefficient C | -9.12700e+01 | |||
| Temperature range, min. | 407.00 | |||
| Temperature range, max. | 569.41 | |||
| Pvap | 1.33 | kPa | 407.00 | Calculated Property |
| Pvap | 2.97 | kPa | 425.05 | Calculated Property |
| Pvap | 6.08 | kPa | 443.09 | Calculated Property |
| Pvap | 11.62 | kPa | 461.14 | Calculated Property |
| Pvap | 20.90 | kPa | 479.18 | Calculated Property |
| Pvap | 35.69 | kPa | 497.23 | Calculated Property |
| Pvap | 58.24 | kPa | 515.27 | Calculated Property |
| Pvap | 91.30 | kPa | 533.32 | Calculated Property |
| Pvap | 138.17 | kPa | 551.36 | Calculated Property |
| Pvap | 202.67 | kPa | 569.41 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-N-Hexylaniline.
Sources
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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