Chemical Properties of Alprenolol desaminodihydroxy, acetylated

InChI

InChI=1S/C18H22O7/c1-5-6-15-9-16(24-13(3)20)7-8-18(15)23-11-17(25-14(4)21)10-22-12(2)19/h5,7-9,17H,1,6,10-11H2,2-4H3

InChI Key

UGLDVYYRPLVKDT-UHFFFAOYSA-N

Formula

C18H22O7

SMILES

C=CCc1cc(OC(C)=O)ccc1OCC(COC(C)=O)OC(C)=O

Molecular Weight¹

350.36

• ω : Acentric Factor.
• 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).
• 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	0.8893		Relay (1.0) Calculated Property
ΔfG°	-527.53	kJ/mol	Joback Calculated Property
ΔfH°gas	-1151.02	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.38	kJ/mol	Joback Calculated Property
ΔvapH°	110.56	kJ/mol	Relay (1.0) Calculated Property
IE	7.89	eV	Relay (1.0) Calculated Property
log10WS	-3.03		Relay (1.0) Calculated Property
logPoct/wat	2.214		Crippen Calculated Property
McVol	264.610	ml/mol	McGowan Calculated Property
Pc	1633.81	kPa	Joback Calculated Property
Inp	[2220.00; 2220.00]
Inp	2220.00		NIST
Inp	2220.00		NIST
Tboil	657.17	K	Relay (1.0) Calculated Property
Tc	833.50	K	Relay (1.0) Calculated Property
Tfus	325.23	K	Relay (1.0) Calculated Property
Vc	0.951	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[803.94; 857.86]	J/mol×K	[895.41; 1108.27]
Cp,gas	803.94	J/mol×K	895.41	Joback Calculated Property
Cp,gas	816.24	J/mol×K	930.89	Joback Calculated Property
Cp,gas	827.24	J/mol×K	966.36	Joback Calculated Property
Cp,gas	836.91	J/mol×K	1001.84	Joback Calculated Property
Cp,gas	845.25	J/mol×K	1037.32	Joback Calculated Property
Cp,gas	852.24	J/mol×K	1072.80	Joback Calculated Property
Cp,gas	857.86	J/mol×K	1108.27	Joback Calculated Property
η	[0.0000390; 0.0002990]	Pa×s	[566.03; 895.41]
η	0.0002990	Pa×s	566.03	Joback Calculated Property
η	0.0001832	Pa×s	620.93	Joback Calculated Property
η	0.0001216	Pa×s	675.82	Joback Calculated Property
η	0.0000858	Pa×s	730.72	Joback Calculated Property
η	0.0000636	Pa×s	785.62	Joback Calculated Property
η	0.0000490	Pa×s	840.51	Joback Calculated Property
η	0.0000390	Pa×s	895.41	Joback Calculated Property

Similar Compounds

Find more compounds similar to Alprenolol desaminodihydroxy, acetylated.

Sources

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

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