- InChI
- InChI=1S/C10H10N2O/c1-7-6-10(13)12-9-5-3-2-4-8(9)11-7/h2-5H,6H2,1H3,(H,12,13)
- InChI Key
- AFHSLLLKMSITIA-UHFFFAOYSA-N
- Formula
- C10H10N2O
- SMILES
- CC1=Nc2ccccc2N=C(O)C1
- Molecular Weight1
- 174.20
- CAS
- 6276-48-8
- Other Names
-
- 2H-1,5-Benzodiazepin-2-one, 1,3-dihydro-4-methyl-
- 4-Methyl-1,5-benzo-diazepin-2-one
- 1,3-dihydro-4-methyl-2H-1,5-benzodiazepin-2-one
- 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).
- 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 | 0.6116 | Relay (1.0) Calculated Property | |
| ΔfG° | 317.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 47.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.99 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.771 | Crippen Calculated Property | |
| McVol | 134.370 | ml/mol | McGowan Calculated Property |
| Pc | 4368.40 | kPa | Joback Calculated Property |
| Tboil | 578.20 | K | Relay (1.0) Calculated Property |
| Tc | 876.24 | K | Relay (1.0) Calculated Property |
| Tfus | 433.87 | K | Relay (1.0) Calculated Property |
| Vc | 0.470 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [375.21; 438.38] | J/mol×K | [687.67; 929.40] | 
|
| Cp,gas | 375.21 | J/mol×K | 687.67 | Joback Calculated Property |
| Cp,gas | 388.45 | J/mol×K | 727.96 | Joback Calculated Property |
| Cp,gas | 400.60 | J/mol×K | 768.25 | Joback Calculated Property |
| Cp,gas | 411.66 | J/mol×K | 808.53 | Joback Calculated Property |
| Cp,gas | 421.63 | J/mol×K | 848.82 | Joback Calculated Property |
| Cp,gas | 430.54 | J/mol×K | 889.11 | Joback Calculated Property |
| Cp,gas | 438.38 | J/mol×K | 929.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3-Dihydro-4-methyl-1H-1,5-benzodiazepin-2-one.
Sources
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