Chemical Properties of Toliprolol desamino hydroxy, acetylated

InChI

InChI=1S/C14H18O5/c1-10-5-4-6-13(7-10)18-9-14(19-12(3)16)8-17-11(2)15/h4-7,14H,8-9H2,1-3H3

InChI Key

YBZAUDYBEYBZHG-UHFFFAOYSA-N

Formula

C14H18O5

SMILES

CC(=O)OCC(COc1cccc(C)c1)OC(C)=O

Molecular Weight¹

266.29

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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°	-405.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-734.33	kJ/mol	Joback Calculated Property
ΔfusH°	28.91	kJ/mol	Joback Calculated Property
ΔvapH°	70.03	kJ/mol	Joback Calculated Property
log10WS	-2.42		Crippen Calculated Property
logPoct/wat	1.869		Crippen Calculated Property
McVol	205.110	ml/mol	McGowan Calculated Property
Pc	2137.41	kPa	Joback Calculated Property
Inp	[1820.00; 1820.00]
Inp	1820.00		NIST
Inp	1820.00		NIST
Tboil	725.94	K	Joback Calculated Property
Tc	933.66	K	Joback Calculated Property
Tfus	438.03	K	Joback Calculated Property
Vc	0.771	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[567.18; 638.67]	J/mol×K	[725.94; 933.66]
Cp,gas	567.18	J/mol×K	725.94	Joback Calculated Property
Cp,gas	581.49	J/mol×K	760.56	Joback Calculated Property
Cp,gas	594.85	J/mol×K	795.18	Joback Calculated Property
Cp,gas	607.26	J/mol×K	829.80	Joback Calculated Property
Cp,gas	618.70	J/mol×K	864.42	Joback Calculated Property
Cp,gas	629.17	J/mol×K	899.04	Joback Calculated Property
Cp,gas	638.67	J/mol×K	933.66	Joback Calculated Property
η	[0.0000849; 0.0008224]	Pa×s	[438.03; 725.94]
η	0.0008224	Pa×s	438.03	Joback Calculated Property
η	0.0004673	Pa×s	486.02	Joback Calculated Property
η	0.0002940	Pa×s	534.00	Joback Calculated Property
η	0.0001996	Pa×s	581.99	Joback Calculated Property
η	0.0001438	Pa×s	629.97	Joback Calculated Property
η	0.0001085	Pa×s	677.96	Joback Calculated Property
η	0.0000849	Pa×s	725.94	Joback Calculated Property

Similar Compounds

Find more compounds similar to Toliprolol desamino hydroxy, acetylated.

Sources

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

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