Chemical Properties of Oxprenolol (CAS 6452-71-7)

InChI

InChI=1S/C15H23NO3/c1-4-9-18-14-7-5-6-8-15(14)19-11-13(17)10-16-12(2)3/h4-8,12-13,16-17H,1,9-11H2,2-3H3

InChI Key

CEMAWMOMDPGJMB-UHFFFAOYSA-N

Formula

C15H23NO3

SMILES

C=CCOc1ccccc1OCC(O)CNC(C)C

Molecular Weight¹

265.35

CAS

6452-71-7

Other Names

• 1-((1-Methylethyl)amino)-3-(2-(2-propenyloxy)phenoxy)-2-propanol
• 1-(Isopropylamino)-2-hydroxy-3-(o-(allyloxy)phenoxy)propane
• 1-(o-(Allyloxy)phenoxy)-3-(isopropylamino)-2-propanol
• 2-Propanol, 1-(2-allyloxyphenoxy)-3-(isopropylamino)-
• 2-Propanol, 1-[(1-methylethyl)amino]-3-[2-(2-propenyloxy)phenoxy]-
• Coretal

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	31.50	kJ/mol	Joback Calculated Property
log10WS	0.38		Aq. Solubility Prediction
logPoct/wat	1.989		Crippen Calculated Property
McVol	221.740	ml/mol	McGowan Calculated Property
Inp	[1870.00; 1927.00]
Inp	1927.00		NIST
Inp	1925.00		NIST
Inp	1910.00		NIST
Inp	1870.00		NIST
Inp	1927.00		NIST
Inp	1870.00		NIST
Inp	1910.00		NIST
Tfus	385.00	K	Aq. Solubility Prediction

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[318.04; 736.75]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.83730e+01
Coefficient B			1.26604e+00
Coefficient C			-6.42660e-04
Coefficient D			9.50000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	318.04	J/mol×K	273.00	Calculated Property
Cp,gas	390.04	J/mol×K	353.78	Calculated Property
Cp,gas	454.97	J/mol×K	434.56	Calculated Property
Cp,gas	513.14	J/mol×K	515.33	Calculated Property
Cp,gas	564.83	J/mol×K	596.11	Calculated Property
Cp,gas	610.35	J/mol×K	676.89	Calculated Property
Cp,gas	650.00	J/mol×K	757.67	Calculated Property
Cp,gas	684.09	J/mol×K	838.44	Calculated Property
Cp,gas	712.90	J/mol×K	919.22	Calculated Property
Cp,gas	736.75	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Oxprenolol.

Sources

• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Joback Method
• Aqueous Solubility Prediction 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.
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