- InChI
- InChI=1S/C19H23NO2/c1-16(2)15-22-19(21)20(13-17-9-5-3-6-10-17)14-18-11-7-4-8-12-18/h3-12,16H,13-15H2,1-2H3
- InChI Key
- LJHBMKIDADLCHL-UHFFFAOYSA-N
- Formula
- C19H23NO2
- SMILES
-
CC(C)COC(=O)N(Cc1ccccc1)Cc1ccc
cc1 - Molecular Weight1
- 297.39
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.7109 | Relay (1.0) Calculated Property | |
| ΔfG° | 208.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -240.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.481 | Crippen Calculated Property | |
| McVol | 248.470 | ml/mol | McGowan Calculated Property |
| Pc | 1845.16 | kPa | Joback Calculated Property |
| Inp | 2176.00 | NIST | |
| Tboil | 651.06 | K | Relay (1.0) Calculated Property |
| Tc | 878.77 | K | Relay (1.0) Calculated Property |
| Tfus | 311.69 | K | Relay (1.0) Calculated Property |
| Vc | 0.905 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [723.72; 808.04] | J/mol×K | [775.77; 998.10] | 
|
| Cp,gas | 723.72 | J/mol×K | 775.77 | Joback Calculated Property |
| Cp,gas | 740.80 | J/mol×K | 812.83 | Joback Calculated Property |
| Cp,gas | 756.57 | J/mol×K | 849.88 | Joback Calculated Property |
| Cp,gas | 771.10 | J/mol×K | 886.94 | Joback Calculated Property |
| Cp,gas | 784.48 | J/mol×K | 923.99 | Joback Calculated Property |
| Cp,gas | 796.77 | J/mol×K | 961.05 | Joback Calculated Property |
| Cp,gas | 808.04 | J/mol×K | 998.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dibenzylamine, N-isoBOC.
Sources
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