- InChI
- InChI=1S/C19H15ClF3NO4/c1-11(25)24(10-19(21,22)23)17-8-5-14(20)9-16(17)18(27)13-3-6-15(7-4-13)28-12(2)26/h3-9H,10H2,1-2H3
- InChI Key
- RDVTXNNIRLUHCM-UHFFFAOYSA-N
- Formula
- C19H15ClF3NO4
- SMILES
-
CC(=O)Oc1ccc(C(=O)c2cc(Cl)ccc2
N(CC(F)(F)F)C(C)=O)cc1 - Molecular Weight1
- 413.77
- 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° | -669.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1012.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.75 | kJ/mol | Joback Calculated Property |
| log10WS | -5.61 | Crippen Calculated Property | |
| logPoct/wat | 4.411 | Crippen Calculated Property | |
| McVol | 269.160 | ml/mol | McGowan Calculated Property |
| Pc | 1724.59 | kPa | Joback Calculated Property |
| Inp | [2350.00; 2350.00] |
|
|
| Inp | 2350.00 | NIST | |
| Inp | 2350.00 | NIST | |
| Tboil | 930.90 | K | Joback Calculated Property |
| Tc | 1156.29 | K | Joback Calculated Property |
| Tfus | 632.89 | K | Joback Calculated Property |
| Vc | 1.030 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [790.09; 837.56] | J/mol×K | [930.90; 1156.29] |
|
| Cp,gas | 790.09 | J/mol×K | 930.90 | Joback Calculated Property |
| Cp,gas | 800.20 | J/mol×K | 968.46 | Joback Calculated Property |
| Cp,gas | 809.32 | J/mol×K | 1006.03 | Joback Calculated Property |
| Cp,gas | 817.54 | J/mol×K | 1043.59 | Joback Calculated Property |
| Cp,gas | 824.94 | J/mol×K | 1081.16 | Joback Calculated Property |
| Cp,gas | 831.58 | J/mol×K | 1118.72 | Joback Calculated Property |
| Cp,gas | 837.56 | J/mol×K | 1156.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Halazepam M (hydroxy-), isomer 1, hydrolysis, acetylated.
Sources
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