- InChI
- InChI=1S/C15H15NO/c1-13(17)16(15-10-6-3-7-11-15)12-14-8-4-2-5-9-14/h2-11H,12H2,1H3
- InChI Key
- BISSQVWYQNHTIH-UHFFFAOYSA-N
- Formula
- C15H15NO
- SMILES
- CC(=O)N(Cc1ccccc1)c1ccccc1
- Molecular Weight1
- 225.29
- CAS
- 6840-29-5
- 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 | 0.5614 | Relay (1.0) Calculated Property | |
| ΔfG° | 282.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 26.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.29 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.90 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.240 | Crippen Calculated Property | |
| McVol | 186.240 | ml/mol | McGowan Calculated Property |
| Pc | 2670.78 | kPa | Joback Calculated Property |
| Inp | [2080.00; 2080.00] |
|
|
| Inp | 2080.00 | NIST | |
| Inp | 2080.00 | NIST | |
| Tboil | 610.42 | K | Relay (1.0) Calculated Property |
| Tc | 880.35 | K | Relay (1.0) Calculated Property |
| Tfus | 340.22 | K | Relay (1.0) Calculated Property |
| Vc | 0.673 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [479.02; 559.78] | J/mol×K | [662.27; 899.64] |
|
| Cp,gas | 479.02 | J/mol×K | 662.27 | Joback Calculated Property |
| Cp,gas | 495.53 | J/mol×K | 701.83 | Joback Calculated Property |
| Cp,gas | 510.70 | J/mol×K | 741.39 | Joback Calculated Property |
| Cp,gas | 524.62 | J/mol×K | 780.95 | Joback Calculated Property |
| Cp,gas | 537.37 | J/mol×K | 820.52 | Joback Calculated Property |
| Cp,gas | 549.06 | J/mol×K | 860.08 | Joback Calculated Property |
| Cp,gas | 559.78 | J/mol×K | 899.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Bamipine, N-desalkyl, acetylated.
Sources
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