- InChI
- InChI=1S/C15H10Cl2N2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)
- InChI Key
- CHIFCDOIPRCHCF-UHFFFAOYSA-N
- Formula
- C15H10Cl2N2O
- SMILES
-
O=C1CN=C(c2ccccc2Cl)c2cc(Cl)cc
c2N1 - Molecular Weight1
- 305.16
- CAS
- 2894-67-9
- Other Names
-
- 2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(2-chlorophenyl)-1,3-dihydro-
- B1, Benzodiazepine
- Chlordemethyldiazepam
- Cl-DMDZ
- Ro 5-3027
- 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-5-(2-chlorophenyl)-
- 2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(o-chlorophenyl)-1,3-dihydro-
- 7-Chloro-5-(2-chlorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one
- Chlordesmethyldiazepam
- Clordesmetildiazepam
- 1,3-Dihydro-7-chloro-5-(o-chlorophenyl)-2H-1,4-benzodiazepin-2-one
- EN
- RV-12165
- 7-Chloro-5-(o-chlorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one
- 2'-Chloronordiazepam
- NSC 169895
- EN [Anticonvulsant]
- 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 | 0.6438 | Relay (1.0) Calculated Property | |
| ΔfG° | 393.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 74.87 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.783 | Crippen Calculated Property | |
| McVol | 205.540 | ml/mol | McGowan Calculated Property |
| Pc | 3018.96 | kPa | Joback Calculated Property |
| Inp | [2537.00; 2593.00] |
|
|
| Inp | 2571.00 | NIST | |
| Inp | 2593.00 | NIST | |
| Inp | 2569.00 | NIST | |
| Inp | 2537.00 | NIST | |
| Inp | 2537.00 | NIST | |
| Inp | 2571.00 | NIST | |
| Tboil | 689.20 | K | Relay (1.0) Calculated Property |
| Tc | 1042.79 | K | Relay (1.0) Calculated Property |
| Tfus | 484.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.712 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [564.40; 608.06] | J/mol×K | [879.92; 1173.17] |
|
| Cp,gas | 564.40 | J/mol×K | 879.92 | Joback Calculated Property |
| Cp,gas | 576.60 | J/mol×K | 928.80 | Joback Calculated Property |
| Cp,gas | 586.83 | J/mol×K | 977.67 | Joback Calculated Property |
| Cp,gas | 595.09 | J/mol×K | 1026.55 | Joback Calculated Property |
| Cp,gas | 601.38 | J/mol×K | 1075.42 | Joback Calculated Property |
| Cp,gas | 605.70 | J/mol×K | 1124.30 | Joback Calculated Property |
| Cp,gas | 608.06 | J/mol×K | 1173.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Delorazepam.
Sources
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