- InChI
- InChI=1S/C14H23N/c1-3-5-12-15(13-6-4-2)14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3
- InChI Key
- FZPXKEPZZOEPGX-UHFFFAOYSA-N
- Formula
- C14H23N
- SMILES
- CCCCN(CCCC)c1ccccc1
- Molecular Weight1
- 205.34
- CAS
- 613-29-6
- Other Names
-
- Aniline, N,N-dibutyl-
- Dibutylamine, N-phenyl-
- Dibutylaniline
- N,N-Dibutylaniline
- N,N-Dibutylbenzenamine
- N,N-di-n-Butylaniline
- N-Phenyldibutylamine
- 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).
- Pvap : Vapor 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 | 0.6092 | Relay (1.0) Calculated Property | |
| ΔfG° | 290.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -44.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [6.95; 7.15] | eV |
|
| IE | 6.95 | eV | NIST |
| IE | 7.15 | eV | NIST |
| log10WS | -4.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.093 | Crippen Calculated Property | |
| McVol | 194.340 | ml/mol | McGowan Calculated Property |
| Pc | 2005.50 | kPa | Joback Calculated Property |
| Tboil | [542.65; 542.70] | K |
|
| Tboil | 542.70 | K | NIST |
| Tboil | 542.65 ± 2.00 | K | NIST |
| Tc | 748.21 | K | Relay (1.0) Calculated Property |
| Tfus | 241.00 ± 0.02 | K | NIST |
| Vc | 0.718 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [260.73; 661.11] | 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 | -5.44340e+01 | |||
| Coefficient B | 1.37884e+00 | |||
| Coefficient C | -8.81600e-04 | |||
| Coefficient D | 2.18300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 260.73 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 332.69 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 396.18 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 451.88 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 500.47 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 542.66 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 579.13 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 610.56 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 637.66 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 661.11 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [413.36; 573.78] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.53290e+01 | |||
| Coefficient B | -4.81143e+03 | |||
| Coefficient C | -9.34800e+01 | |||
| Temperature range, min. | 413.36 | |||
| Temperature range, max. | 573.78 | |||
| Pvap | 1.33 | kPa | 413.36 | Calculated Property |
| Pvap | 2.95 | kPa | 431.18 | Calculated Property |
| Pvap | 6.02 | kPa | 449.01 | Calculated Property |
| Pvap | 11.49 | kPa | 466.83 | Calculated Property |
| Pvap | 20.68 | kPa | 484.66 | Calculated Property |
| Pvap | 35.34 | kPa | 502.48 | Calculated Property |
| Pvap | 57.77 | kPa | 520.31 | Calculated Property |
| Pvap | 90.77 | kPa | 538.13 | Calculated Property |
| Pvap | 137.74 | kPa | 555.96 | Calculated Property |
| Pvap | 202.64 | kPa | 573.78 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzenamine, N,N-dibutyl-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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