Chemical Properties of Clorazepate M (hydroxy-), isomer 2, hydrolysis, acetylated

Clorazepate M (hydroxy-), isomer 2, hydrolysis, acetylated

InChI
InChI=1S/C17H14ClNO4/c1-10(20)19-16-8-5-13(18)9-15(16)17(22)12-3-6-14(7-4-12)23-11(2)21/h3-9H,1-2H3,(H,19,20)
InChI Key
YGHHKQDRXRDUHB-UHFFFAOYSA-N
Formula
C17H14ClNO4
SMILES
CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccc(OC(C)=O)cc1
Molecular Weight1
331.75
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Physical Properties

Property Value Unit Source
ΔfusH° 43.56 kJ/mol Joback Calculated Property
IE 8.14 eV Relay (1.0) Calculated Property
log10WS -4.16 Relay (1.0) Calculated Property
logPoct/wat 3.455 Crippen Calculated Property
McVol 235.670 ml/mol McGowan Calculated Property
Inp [2560.00; 2580.00]   Show Hide
Inp 2580.00 NIST
Inp 2580.00 NIST
Inp 2560.00 NIST
Tboil 668.79 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [307.03; 681.51] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A1.43300e+01
Coefficient B1.25474e+00
Coefficient C-6.99280e-04
Coefficient D1.11720e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 307.03 J/mol×K 273.00 Calculated Property
Cp,gas 375.65 J/mol×K 353.78 Calculated Property
Cp,gas 436.70 J/mol×K 434.56 Calculated Property
Cp,gas 490.52 J/mol×K 515.33 Calculated Property
Cp,gas 537.47 J/mol×K 596.11 Calculated Property
Cp,gas 577.90 J/mol×K 676.89 Calculated Property
Cp,gas 612.17 J/mol×K 757.67 Calculated Property
Cp,gas 640.62 J/mol×K 838.44 Calculated Property
Cp,gas 663.62 J/mol×K 919.22 Calculated Property
Cp,gas 681.51 J/mol×K 1000.00 Calculated Property

Similar Compounds

Clorazepate M (hydroxy-), isomer 1, hydrolysis, acetylated. Halazepam M (desalkylhydroxymethoxy-), hydrolysis, acetylated. Nordazepam M (hydroxymethoxy-), hydrolysis, acetylated. 4-Chloroacetamidobenzophenone. Benzophenone, 2-acetamino-2',5-dichloro-. 2-amino-5-chloro-2'-fluorobenzophenone, acetylated. Halazepam M (hydroxy-), isomer 1, hydrolysis, acetylated. Delorazepam M (hydroxy-), hydrolysis, acetylated. Clonazepam M (amino-), hydrolysis, acetylated. Halazepam M (hydroxymethoxy-), hydrolysis, acetylated. Diazepam, M(HO-), acid hydrolyzed, acetylated. Benzophenone, 5-chloro-2-fluoro-2'-(2-hydroxyethyl)amino. Halazepam M (hydroxy-), isomer 2, hydrolysis, acetylated. Clonazepam, M(amino-), acid hydrolyzed, acetylated. 5-Chloro-2'-fluoro-2-hydroxyethyaminobenzophenone.

Find more compounds similar to Clorazepate M (hydroxy-), isomer 2, hydrolysis, acetylated.

Sources

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