- InChI
- InChI=1S/C16H11ClN2O3/c17-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)19-14(16(21)22)15(20)18-12/h1-8,14H,(H,18,20)(H,21,22)
- InChI Key
- XDDJGVMJFWAHJX-UHFFFAOYSA-N
- Formula
- C16H11ClN2O3
- SMILES
-
O=C(O)C1N=C(c2ccccc2)c2cc(Cl)c
cc2NC1=O - Molecular Weight1
- 314.72
- Other Names
-
- Clorazepic acid
- Chlorazepate
- 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° | 150.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -126.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.32 | kJ/mol | Joback Calculated Property |
| log10WS | -3.25 | Crippen Calculated Property | |
| logPoct/wat | 2.583 | Crippen Calculated Property | |
| McVol | 214.830 | ml/mol | McGowan Calculated Property |
| Pc | 3295.37 | kPa | Joback Calculated Property |
| Inp | [2655.00; 2701.00] |
|
|
| Inp | 2655.00 | NIST | |
| Inp | 2655.00 | NIST | |
| Inp | 2701.00 | NIST | |
| Inp | 2655.00 | NIST | |
| Inp | 2701.00 | NIST | |
| Inp | 2655.00 | NIST | |
| Tboil | 1001.77 | K | Joback Calculated Property |
| Tc | 1266.49 | K | Joback Calculated Property |
| Tfus | 757.60 | K | Joback Calculated Property |
| Vc | 0.809 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [651.88; 669.54] | J/mol×K | [1001.77; 1266.49] |
|
| Cp,gas | 651.88 | J/mol×K | 1001.77 | Joback Calculated Property |
| Cp,gas | 659.03 | J/mol×K | 1045.89 | Joback Calculated Property |
| Cp,gas | 664.36 | J/mol×K | 1090.01 | Joback Calculated Property |
| Cp,gas | 667.86 | J/mol×K | 1134.13 | Joback Calculated Property |
| Cp,gas | 669.54 | J/mol×K | 1178.25 | Joback Calculated Property |
| Cp,gas | 669.40 | J/mol×K | 1222.37 | Joback Calculated Property |
| Cp,gas | 667.44 | J/mol×K | 1266.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Clorazepate.
Sources
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