- InChI
- InChI=1S/C18H14ClFN2O3/c1-2-25-18(24)16-17(23)21-14-8-7-10(19)9-12(14)15(22-16)11-5-3-4-6-13(11)20/h3-9,16H,2H2,1H3,(H,21,23)
- InChI Key
- CUCHJCMWNFEYOM-UHFFFAOYSA-N
- Formula
- C18H14ClFN2O3
- SMILES
-
CCOC(=O)C1N=C(c2ccccc2F)c2cc(C
l)ccc2NC1=O - Molecular Weight1
- 360.77
- CAS
- 29177-84-2
- Other Names
-
- 1H-1,4-Benzodiazepine-3-carboxylic acid, 7-chloro-5-(2-fluorophenyl)-2,3-dihydro-2-oxo-, ethyl ester
- CM 6912
- Ethyl 7-chloro-5-(o-fluorophenyl)-2,3-dihydro-2-oxo-1H-1,4-benzodiazepine-3-carboxylate
- Ethyl fluclozepate
- Loflazepic acid, ethyl ester
- Victan
- Meilax
- 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).
- 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 | 0.7047 | Relay (1.0) Calculated Property | |
| ΔfG° | -5.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -467.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 118.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.200 | Crippen Calculated Property | |
| McVol | 244.780 | ml/mol | McGowan Calculated Property |
| Pc | 2261.11 | kPa | Joback Calculated Property |
| Tboil | 699.70 | K | Relay (1.0) Calculated Property |
| Tc | 1020.37 | K | Relay (1.0) Calculated Property |
| Tfus | 443.25 | K | Relay (1.0) Calculated Property |
| Vc | 0.846 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [754.54; 778.61] | J/mol×K | [982.02; 1245.19] | 
|
| Cp,gas | 754.54 | J/mol×K | 982.02 | Joback Calculated Property |
| Cp,gas | 763.80 | J/mol×K | 1025.88 | Joback Calculated Property |
| Cp,gas | 770.87 | J/mol×K | 1069.74 | Joback Calculated Property |
| Cp,gas | 775.71 | J/mol×K | 1113.61 | Joback Calculated Property |
| Cp,gas | 778.30 | J/mol×K | 1157.47 | Joback Calculated Property |
| Cp,gas | 778.61 | J/mol×K | 1201.33 | Joback Calculated Property |
| Cp,gas | 776.60 | J/mol×K | 1245.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl loflazepate.
Sources
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