- InChI
- InChI=1S/C16H27N/c1-3-5-13-17(14-6-4-2)15-12-16-10-8-7-9-11-16/h7-11H,3-6,12-15H2,1-2H3
- InChI Key
- LEHSOUZQZPUDEC-UHFFFAOYSA-N
- Formula
- C16H27N
- SMILES
- CCCCN(CCCC)CCc1ccccc1
- Molecular Weight1
- 233.39
- CAS
- 5779-51-1
- Other Names
-
- N,N-dibutylphenethylamine
- 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 | 0.6351 | Relay (1.0) Calculated Property | |
| ΔfG° | 307.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -47.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.131 | Crippen Calculated Property | |
| McVol | 222.520 | ml/mol | McGowan Calculated Property |
| Pc | 1700.50 | kPa | Joback Calculated Property |
| Tboil | 564.17 | K | Relay (1.0) Calculated Property |
| Tc | 745.49 | K | Relay (1.0) Calculated Property |
| Tfus | 226.70 | K | Relay (1.0) Calculated Property |
| Vc | 0.821 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [583.74; 685.25] | J/mol×K | [604.60; 791.89] | 
|
| Cp,gas | 583.74 | J/mol×K | 604.60 | Joback Calculated Property |
| Cp,gas | 603.09 | J/mol×K | 635.81 | Joback Calculated Property |
| Cp,gas | 621.40 | J/mol×K | 667.03 | Joback Calculated Property |
| Cp,gas | 638.73 | J/mol×K | 698.24 | Joback Calculated Property |
| Cp,gas | 655.12 | J/mol×K | 729.46 | Joback Calculated Property |
| Cp,gas | 670.61 | J/mol×K | 760.67 | Joback Calculated Property |
| Cp,gas | 685.25 | J/mol×K | 791.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenethylamine, n,n-dibutyl-.
Sources
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