- InChI
- InChI=1S/C15H15ClN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h4,6-8H,1-3,5,9H2,(H,18,19)
- InChI Key
- FDRMSENAXZDFTN-UHFFFAOYSA-N
- Formula
- C15H15ClN2O
- SMILES
-
O=C1CN=C(C2=CCCCC2)c2cc(Cl)ccc
2N1 - Molecular Weight1
- 274.75
- CAS
- 10379-11-0
- Other Names
-
- 7-Chloro-5-(1-cyclohexen-1-yl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one
- CB-4260
- 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° | 355.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 64.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.40 | kJ/mol | Joback Calculated Property |
| log10WS | -4.16 | Crippen Calculated Property | |
| logPoct/wat | 3.582 | Crippen Calculated Property | |
| McVol | 201.900 | ml/mol | McGowan Calculated Property |
| Pc | 2953.69 | kPa | Joback Calculated Property |
| Inp | [2520.00; 2520.00] |
|
|
| Inp | 2520.00 | NIST | |
| Inp | 2520.00 | NIST | |
| Tboil | 839.19 | K | Joback Calculated Property |
| Tc | 1126.29 | K | Joback Calculated Property |
| Tfus | 638.30 | K | Joback Calculated Property |
| Vc | 0.757 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [601.86; 667.87] | J/mol×K | [839.19; 1126.29] |
|
| Cp,gas | 601.86 | J/mol×K | 839.19 | Joback Calculated Property |
| Cp,gas | 618.17 | J/mol×K | 887.04 | Joback Calculated Property |
| Cp,gas | 632.34 | J/mol×K | 934.89 | Joback Calculated Property |
| Cp,gas | 644.39 | J/mol×K | 982.74 | Joback Calculated Property |
| Cp,gas | 654.33 | J/mol×K | 1030.59 | Joback Calculated Property |
| Cp,gas | 662.15 | J/mol×K | 1078.44 | Joback Calculated Property |
| Cp,gas | 667.87 | J/mol×K | 1126.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Nortetrazepam.
Sources
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