- InChI
- InChI=1S/C17H15N3O2/c1-11(21)19-13-7-8-15-14(9-13)17(18-10-16(22)20-15)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,19,21)(H,20,22)
- InChI Key
- JHTJXLGLYZQIGI-UHFFFAOYSA-N
- Formula
- C17H15N3O2
- SMILES
-
CC(=O)Nc1ccc2c(c1)C(c1ccccc1)=
NCC(=O)N2 - Molecular Weight1
- 293.32
- CAS
- 4928-03-4
- Other Names
-
- 2H-1,4-Benzodiazepin-2-one, 7-acetamido-1,3-dihydro-5-phenyl-
- N-(2-Oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-7-yl)acetamide
- 7-Acetamidonitrazepam
- NSC 58777
- 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° | 404.78 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 95.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.23 | kJ/mol | Joback Calculated Property |
| log10WS | -3.14 | Crippen Calculated Property | |
| logPoct/wat | 2.434 | Crippen Calculated Property | |
| McVol | 220.790 | ml/mol | McGowan Calculated Property |
| Pc | 2931.34 | kPa | Joback Calculated Property |
| Inp | [3205.00; 3205.00] |
|
|
| Inp | 3205.00 | NIST | |
| Inp | 3205.00 | NIST | |
| Tboil | 949.88 | K | Joback Calculated Property |
| Tc | 1225.29 | K | Joback Calculated Property |
| Tfus | 735.03 | K | Joback Calculated Property |
| Vc | 0.834 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [694.13; 732.31] | J/mol×K | [949.88; 1225.29] |
|
| Cp,gas | 694.13 | J/mol×K | 949.88 | Joback Calculated Property |
| Cp,gas | 705.50 | J/mol×K | 995.78 | Joback Calculated Property |
| Cp,gas | 714.84 | J/mol×K | 1041.68 | Joback Calculated Property |
| Cp,gas | 722.17 | J/mol×K | 1087.58 | Joback Calculated Property |
| Cp,gas | 727.51 | J/mol×K | 1133.48 | Joback Calculated Property |
| Cp,gas | 730.89 | J/mol×K | 1179.39 | Joback Calculated Property |
| Cp,gas | 732.31 | J/mol×K | 1225.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 7-Acetamino-2,3-dihydro-5-phenyl-1H-1,4-benzodiazepin-2-one.
Sources
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