Chemical Properties of 2-Propanol, 1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)-, (S)- (CAS 4199-09-1)

InChI

InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/t14-/m1/s1

InChI Key

AQHHHDLHHXJYJD-CQSZACIVSA-N

Formula

C16H21NO2

SMILES

CC(C)NCC(O)COc1cccc2ccccc12

Molecular Weight¹

259.34

CAS

4199-09-1

Other Names

• (S)-1-(isopropylamino)-3-(naphthyloxy)propan-2-ol
• (-) 1-(Isopropylamino)-3-(1-naphthyloxy)-2-propanol (propranolol)

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (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).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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 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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[292.66; 707.57]	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			-3.64880e+01
Coefficient B			1.44054e+00
Coefficient C			-9.21880e-04
Coefficient D			2.25400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	292.66	J/mol×K	273.00	Calculated Property
Cp,gas	367.74	J/mol×K	353.78	Calculated Property
Cp,gas	433.92	J/mol×K	434.56	Calculated Property
Cp,gas	491.90	J/mol×K	515.33	Calculated Property
Cp,gas	542.39	J/mol×K	596.11	Calculated Property
Cp,gas	586.12	J/mol×K	676.89	Calculated Property
Cp,gas	623.78	J/mol×K	757.67	Calculated Property
Cp,gas	656.11	J/mol×K	838.44	Calculated Property
Cp,gas	683.80	J/mol×K	919.22	Calculated Property
Cp,gas	707.57	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Propanol, 1-[(1-methylethyl)amino]-3-(1-naphthalenyloxy)-, (S)-.

Sources

• Cheméo Relay (1.0)
• 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
• Crippen Method
• Joback 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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