Chemical Properties of Propranolol bis(trifluoroacetate) (CAS 40435-87-8)

InChI

InChI=1S/C20H19F6NO4/c1-12(2)27(17(28)19(21,22)23)10-14(31-18(29)20(24,25)26)11-30-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14H,10-11H2,1-2H3

InChI Key

QALUHRIUDJFKPS-UHFFFAOYSA-N

Formula

C20H19F6NO4

SMILES

CC(C)N(CC(COc1cccc2ccccc12)OC(=O)C(F)(F)F)C(=O)C(F)(F)F

Molecular Weight¹

451.36

CAS

40435-87-8

Other Names

• Propranolol, bis-TFA
• propranolol, TFA

• 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).
• 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	[891.73; 955.09]	J/mol×K	[860.94; 1061.72]
Cp,gas	891.73	J/mol×K	860.94	Joback Calculated Property
Cp,gas	904.28	J/mol×K	894.40	Joback Calculated Property
Cp,gas	915.91	J/mol×K	927.87	Joback Calculated Property
Cp,gas	926.72	J/mol×K	961.33	Joback Calculated Property
Cp,gas	936.79	J/mol×K	994.79	Joback Calculated Property
Cp,gas	946.22	J/mol×K	1028.26	Joback Calculated Property
Cp,gas	955.09	J/mol×K	1061.72	Joback Calculated Property

Similar Compounds

Find more compounds similar to Propranolol bis(trifluoroacetate).

Sources

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

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