Chemical Properties of Carteolol hydroxy, acetylated

InChI

InChI=1S/C23H32N2O7/c1-14(26)25(23(4,5)6)12-11-17(31-15(2)27)13-30-19-8-9-20(32-16(3)28)22-18(19)7-10-21(29)24-22/h8-9,17H,7,10-13H2,1-6H3,(H,24,29)

InChI Key

RUQKNCGDKVIFJX-UHFFFAOYSA-N

Formula

C23H32N2O7

SMILES

CC(=O)Oc1ccc(OCC(CCN(C(C)=O)C(C)(C)C)OC(C)=O)c2c1NC(=O)CC2

Molecular Weight¹

448.51

• 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°	-342.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-1009.74	kJ/mol	Joback Calculated Property
ΔfusH°	52.71	kJ/mol	Joback Calculated Property
ΔvapH°	110.28	kJ/mol	Joback Calculated Property
log10WS	-4.42		Crippen Calculated Property
logPoct/wat	2.844		Crippen Calculated Property
McVol	344.160	ml/mol	McGowan Calculated Property
Pc	1342.74	kPa	Joback Calculated Property
Inp	[2800.00; 2800.00]
Inp	2800.00		NIST
Inp	2800.00		NIST
Tboil	1136.95	K	Joback Calculated Property
Tc	1391.95	K	Joback Calculated Property
Tfus	841.23	K	Joback Calculated Property
Vc	1.282	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1187.17; 1207.01]	J/mol×K	[1136.95; 1391.95]
Cp,gas	1187.17	J/mol×K	1136.95	Joback Calculated Property
Cp,gas	1195.28	J/mol×K	1179.45	Joback Calculated Property
Cp,gas	1201.27	J/mol×K	1221.95	Joback Calculated Property
Cp,gas	1205.17	J/mol×K	1264.45	Joback Calculated Property
Cp,gas	1207.01	J/mol×K	1306.95	Joback Calculated Property
Cp,gas	1206.84	J/mol×K	1349.45	Joback Calculated Property
Cp,gas	1204.69	J/mol×K	1391.95	Joback Calculated Property

Similar Compounds

Find more compounds similar to Carteolol hydroxy, acetylated.

Sources

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

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