- InChI
- InChI=1S/C18H31N/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(19)16-14-17/h13-16H,2-12,19H2,1H3
- InChI Key
- KLPPPIIIEMUEGP-UHFFFAOYSA-N
- Formula
- C18H31N
- SMILES
- CCCCCCCCCCCCc1ccc(N)cc1
- Molecular Weight1
- 261.45
- Other Names
-
- 4-n-Dodecylamine
- Benzenamine, 4-dodecyl-
- p-Dodecylaniline
- ω : Acentric Factor.
- 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).
- 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 | 0.8812 | Relay (1.0) Calculated Property | |
| ΔfG° | 269.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -176.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.98 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.732 | Crippen Calculated Property | |
| McVol | 250.700 | ml/mol | McGowan Calculated Property |
| Pc | 1510.50 | kPa | Joback Calculated Property |
| Tboil | 634.99 | K | Relay (1.0) Calculated Property |
| Tc | 827.37 | K | Relay (1.0) Calculated Property |
| Tfus | 313.65 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.955 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [353.00; 862.37] | 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 | -2.65890e+01 | |||
| Coefficient B | 1.63732e+00 | |||
| Coefficient C | -9.62960e-04 | |||
| Coefficient D | 2.14600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 353.00 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 441.64 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 520.68 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 590.81 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 652.71 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 707.04 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 754.50 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 795.75 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 831.48 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 862.37 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-DODECYLANILINE.
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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