- InChI
- InChI=1S/C15H17N/c1-3-7-14(8-4-1)11-12-16-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2
- InChI Key
- UPABQMWFWCMOFV-UHFFFAOYSA-N
- Formula
- C15H17N
- SMILES
- c1ccc(CCNCc2ccccc2)cc1
- Molecular Weight1
- 211.30
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 389.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 173.60 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.97 | kJ/mol | Joback Calculated Property |
| log10WS | -3.99 | Crippen Calculated Property | |
| logPoct/wat | 3.019 | Crippen Calculated Property | |
| McVol | 184.670 | ml/mol | McGowan Calculated Property |
| Pc | 2543.05 | kPa | Joback Calculated Property |
| Inp | 1798.00 | NIST | |
| Tboil | 646.13 | K | Joback Calculated Property |
| Tc | 878.87 | K | Joback Calculated Property |
| Tfus | 364.31 | K | Joback Calculated Property |
| Vc | 0.695 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [475.35; 561.92] | J/mol×K | [646.13; 878.87] | 
|
| Cp,gas | 475.35 | J/mol×K | 646.13 | Joback Calculated Property |
| Cp,gas | 492.77 | J/mol×K | 684.92 | Joback Calculated Property |
| Cp,gas | 508.88 | J/mol×K | 723.71 | Joback Calculated Property |
| Cp,gas | 523.78 | J/mol×K | 762.50 | Joback Calculated Property |
| Cp,gas | 537.53 | J/mol×K | 801.29 | Joback Calculated Property |
| Cp,gas | 550.22 | J/mol×K | 840.08 | Joback Calculated Property |
| Cp,gas | 561.92 | J/mol×K | 878.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benethamine.
Sources
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