Chemical Properties of Alprenolol, TFA (CAS 40435-85-6)

InChI

InChI=1S/C19H21F6NO4/c1-4-7-13-8-5-6-9-15(13)29-11-14(30-17(28)19(23,24)25)10-26(12(2)3)16(27)18(20,21)22/h4-6,8-9,12,14H,1,7,10-11H2,2-3H3

InChI Key

CFMTYXOXDDMWHX-UHFFFAOYSA-N

Formula

C19H21F6NO4

SMILES

C=CCc1ccccc1OCC(CN(C(=O)C(F)(F)F)C(C)C)OC(=O)C(F)(F)F

Molecular Weight¹

441.36

CAS

40435-85-6

• 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

Property	Value	Unit	Source
ΔfG°	-1225.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-1711.79	kJ/mol	Joback Calculated Property
ΔfusH°	42.54	kJ/mol	Joback Calculated Property
ΔvapH°	72.24	kJ/mol	Joback Calculated Property
log10WS	-5.19		Crippen Calculated Property
logPoct/wat	4.067		Crippen Calculated Property
McVol	285.990	ml/mol	McGowan Calculated Property
Pc	1266.45	kPa	Joback Calculated Property
Inp	[1861.00; 1861.00]
Inp	1861.00		NIST
Inp	1861.00		NIST
Tboil	815.76	K	Joback Calculated Property
Tc	1005.22	K	Joback Calculated Property
Tfus	496.24	K	Joback Calculated Property
Vc	1.113	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[882.66; 950.47]	J/mol×K	[815.76; 1005.22]
Cp,gas	882.66	J/mol×K	815.76	Joback Calculated Property
Cp,gas	896.19	J/mol×K	847.34	Joback Calculated Property
Cp,gas	908.75	J/mol×K	878.91	Joback Calculated Property
Cp,gas	920.39	J/mol×K	910.49	Joback Calculated Property
Cp,gas	931.19	J/mol×K	942.07	Joback Calculated Property
Cp,gas	941.20	J/mol×K	973.65	Joback Calculated Property
Cp,gas	950.47	J/mol×K	1005.22	Joback Calculated Property

Similar Compounds

Find more compounds similar to Alprenolol, TFA.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.