- InChI
- InChI=1S/C15H15NO/c17-15(11-13-7-3-1-4-8-13)16-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,16,17)
- InChI Key
- CPKRCGUDZGKAPJ-UHFFFAOYSA-N
- Formula
- C15H15NO
- SMILES
- OC(Cc1ccccc1)=NCc1ccccc1
- Molecular Weight1
- 225.29
- CAS
- 7500-45-0
- Other Names
-
- Phenylacetylamino, N-benzyl-
- N-Benzyl-2-phenylacetamide
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 | 0.7190 | Relay (1.0) Calculated Property | |
| ΔfG° | 219.07 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | 26.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 106.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.16 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.386 | Crippen Calculated Property | |
| McVol | 186.240 | ml/mol | McGowan Calculated Property |
| Pc | 2490.03 | kPa | Joback Calculated Property |
| Inp | [2059.80; 2059.80] |
|
|
| Inp | 2059.80 | NIST | |
| Inp | 2059.80 | NIST | |
| Tboil | 626.41 | K | Relay (1.0) Calculated Property |
| Tc | 895.90 | K | Relay (1.0) Calculated Property |
| Tfus | 399.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.671 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Benzeneacetamide, N-(phenylmethyl)-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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