Chemical Properties of Sertraline, ketone

InChI

InChI=1S/C16H12Cl2O/c17-14-7-5-10(9-15(14)18)11-6-8-16(19)13-4-2-1-3-12(11)13/h1-5,7,9,11H,6,8H2/t11-/m1/s1

InChI Key

JGMBHJNMQVKDMW-LLVKDONJSA-N

Formula

C16H12Cl2O

SMILES

O=C1CCC(c2ccc(Cl)c(Cl)c2)c2ccccc21

Molecular Weight¹

291.17

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[537.55; 607.22]	J/mol×K	[787.47; 1060.11]
Cp,gas	537.55	J/mol×K	787.47	Joback Calculated Property
Cp,gas	552.57	J/mol×K	832.91	Joback Calculated Property
Cp,gas	566.13	J/mol×K	878.35	Joback Calculated Property
Cp,gas	578.30	J/mol×K	923.79	Joback Calculated Property
Cp,gas	589.16	J/mol×K	969.23	Joback Calculated Property
Cp,gas	598.77	J/mol×K	1014.67	Joback Calculated Property
Cp,gas	607.22	J/mol×K	1060.11	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sertraline, ketone.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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