- InChI
- InChI=1S/C15H11ClN2O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-15(20)14(19)17-12/h1-8,15,20H,(H,17,19)
- InChI Key
- ADIMAYPTOBDMTL-UHFFFAOYSA-N
- Formula
- C15H12ClN2O2
- SMILES
-
O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=N
C1O - Molecular Weight1
- 287.72
- CAS
- 604-75-1
- Other Names
-
- (.+/-.)-Oxazepam
- (RS)-Oxazepam
- 2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-3-hydroxy-5-phenyl-
- 7-Chloro-1,3-dihydro-3-hydroxy-5-phenyl-2H-1,4-benzodiazepin-2-one
- 7-Chloro-1,3-dihydro-3-hydroxy-5-phenyl-2H-1,4-benzodiazepine-2-one
- 7-Chloro-1,3-dihydroxy-5-phenyl-2H-1,4-benzodiazepin-2-one ((±)-oxazepam)
- 7-Chloro-1,3-dihydroxy-5-phenyl-2H-1,4-benzodiazepin-2-one ((±)-oxazepam)
- 7-Chloro-3-hydroxy-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
- 7-Chloro-3-hydroxy-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one
- 7-chloro-3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
- Adumbran
- Ansiolisina
- Ansioxacepam
- Anxiolit
- Aplakil
- Astress
- Azutranquil
- Bonare
- CB 8092
- Camazepam-metabolite
- Clorazepate-metabolite
- Diazepam-metabolite
- Drimuel
- Droxacepam
- Durazepam
- Enidrel
- Hi-Long
- Isodin
- Ketazolam-metabolite
- Lederpam
- Limbial
- Murelax
- Nesontil
- Noctazepam
- Nortemazepam
- Notaral
- Nozepam
- Oxa-puren
- Oxanid
- Oxozepam
- Pacienx
- Praxiten
- Propax
- Psicopax
- Psiquiwas
- QUEN
- Quilibrex
- Ro 5-6789
- Rondar
- Sedigoa
- Serax
- Serenal
- Serenid
- Serenid-D
- Serepax
- Seresta
- Serpax
- Sigacalm
- Sobril
- Tacepam
- Tarchomin
- Tazepam
- Temazepam-metabolite
- Tranquo-buscopan-wirkstoff
- Uskan
- Vaben
- Wy-3498
- Wy-3498 stic
- Z10-TR
- Zaxopam
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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° | 271.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 7.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.35 | kJ/mol | Joback Calculated Property |
| log10WS | [-3.95; -3.95] |
|
|
| log10WS | -3.95 | Aq. Sol... | |
| log10WS | -3.95 | Estimat... | |
| logPoct/wat | 2.448 | Crippen Calculated Property | |
| McVol | 199.170 | ml/mol | McGowan Calculated Property |
| Pc | 3423.86 | kPa | Joback Calculated Property |
| Inp | [2293.00; 2386.00] |
|
|
| Inp | 2350.00 | NIST | |
| Inp | 2374.00 | NIST | |
| Inp | 2350.00 | NIST | |
| Inp | 2331.00 | NIST | |
| Inp | 2380.00 | NIST | |
| Inp | 2380.00 | NIST | |
| Inp | 2380.00 | NIST | |
| Inp | 2380.00 | NIST | |
| Inp | 2323.00 | NIST | |
| Inp | 2293.00 | NIST | |
| Inp | 2294.00 | NIST | |
| Inp | 2385.00 | NIST | |
| Inp | 2293.00 | NIST | |
| Inp | 2320.00 | NIST | |
| Inp | 2300.00 | NIST | |
| Inp | 2386.00 | NIST | |
| Inp | 2373.00 | NIST | |
| Inp | 2370.00 | NIST | |
| Inp | 2336.00 | NIST | |
| Inp | 2374.00 | NIST | |
| Inp | 2374.00 | NIST | |
| Inp | 2354.00 | NIST | |
| Inp | 2293.00 | NIST | |
| Inp | 2294.00 | NIST | |
| Inp | 2300.00 | NIST | |
| Inp | 2325.00 | NIST | |
| Inp | 2318.00 | NIST | |
| Inp | 2318.00 | NIST | |
| Inp | 2336.00 | NIST | |
| Inp | 2310.00 | NIST | |
| Inp | 2336.00 | NIST | |
| Inp | 2314.00 | NIST | |
| Inp | 2300.00 | NIST | |
| Inp | 2335.00 | NIST | |
| Inp | 2336.00 | NIST | |
| Tboil | 925.02 | K | Joback Calculated Property |
| Tc | 1190.00 | K | Joback Calculated Property |
| Tfus | 478.45 | K | Aq. Sol... |
| Vc | 0.748 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [594.96; 629.23] | J/mol×K | [925.02; 1190.00] |
|
| Cp,gas | 594.96 | J/mol×K | 925.02 | Joback Calculated Property |
| Cp,gas | 604.98 | J/mol×K | 969.18 | Joback Calculated Property |
| Cp,gas | 613.28 | J/mol×K | 1013.35 | Joback Calculated Property |
| Cp,gas | 619.85 | J/mol×K | 1057.51 | Joback Calculated Property |
| Cp,gas | 624.70 | J/mol×K | 1101.68 | Joback Calculated Property |
| Cp,gas | 627.83 | J/mol×K | 1145.84 | Joback Calculated Property |
| Cp,gas | 629.23 | J/mol×K | 1190.00 | Joback Calculated Property |
| ΔfusH | [84.11; 86.40] | kJ/mol | [467.50; 478.80] |
|
| ΔfusH | 84.11 | kJ/mol | 467.50 | NIST |
| ΔfusH | 86.40 | kJ/mol | 478.80 | NIST |
Similar Compounds
Find more compounds similar to Oxazepam.
Sources
- Crippen Method
- Joback Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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