Chemical Properties of Toliprolol hydroxy, acetylated

InChI

InChI=1S/C19H27NO6/c1-12(2)20(14(4)21)10-18(25-15(5)22)11-24-17-7-8-19(13(3)9-17)26-16(6)23/h7-9,12,18H,10-11H2,1-6H3

InChI Key

REVONIZMEPYZLV-UHFFFAOYSA-N

Formula

C19H27NO6

SMILES

CC(=O)Oc1ccc(OCC(CN(C(C)=O)C(C)C)OC(C)=O)cc1C

Molecular Weight¹

365.42

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.9016		Relay (... Calculated Property
ΔfG°	-393.61	kJ/mol	Joback Calculated Property
ΔfH°gas	-1083.13	kJ/mol	Relay (... Calculated Property
ΔfusH°	42.56	kJ/mol	Joback Calculated Property
ΔvapH°	109.12	kJ/mol	Relay (... Calculated Property
IE	7.69	eV	Relay (... Calculated Property
log10WS	-2.28		Relay (... Calculated Property
logPoct/wat	2.488		Crippen Calculated Property
McVol	287.110	ml/mol	McGowan Calculated Property
Pc	1491.89	kPa	Joback Calculated Property
Inp	[2550.00; 2550.00]
Inp	2550.00		NIST
Inp	2550.00		NIST
Tboil	641.94	K	Relay (... Calculated Property
Tc	848.68	K	Relay (... Calculated Property
Tfus	348.63	K	Relay (... Calculated Property
Vc	1.042	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[905.24; 966.46]	J/mol×K	[911.19; 1124.03]
Cp,gas	905.24	J/mol×K	911.19	Joback Calculated Property
Cp,gas	918.78	J/mol×K	946.66	Joback Calculated Property
Cp,gas	930.98	J/mol×K	982.14	Joback Calculated Property
Cp,gas	941.84	J/mol×K	1017.61	Joback Calculated Property
Cp,gas	951.36	J/mol×K	1053.08	Joback Calculated Property
Cp,gas	959.57	J/mol×K	1088.56	Joback Calculated Property
Cp,gas	966.46	J/mol×K	1124.03	Joback Calculated Property

Similar Compounds

Find more compounds similar to Toliprolol hydroxy, acetylated.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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