Chemical Properties of 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol

InChI

InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3

InChI Key

NDAUXUAQIAJITI-UHFFFAOYSA-N

Formula

C13H21NO3

SMILES

CC(C)(C)NCC(O)c1ccc(O)c(CO)c1

Molecular Weight¹

239.32

Other Names

• 4-(2-(tert-butylamino)-1-hydroxyethyl)-2-(hydroxymethyl)phenol
• Salbutamol
• albuterol

• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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	[282.85; 667.10]	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			-5.42380e+01
Coefficient B			1.53096e+00
Coefficient C			-1.18832e-03
Coefficient D			3.78700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	282.85	J/mol×K	273.00	Calculated Property
Cp,gas	355.42	J/mol×K	353.78	Calculated Property
Cp,gas	417.73	J/mol×K	434.56	Calculated Property
Cp,gas	470.96	J/mol×K	515.33	Calculated Property
Cp,gas	516.34	J/mol×K	596.11	Calculated Property
Cp,gas	555.04	J/mol×K	676.89	Calculated Property
Cp,gas	588.27	J/mol×K	757.67	Calculated Property
Cp,gas	617.22	J/mol×K	838.44	Calculated Property
Cp,gas	643.10	J/mol×K	919.22	Calculated Property
Cp,gas	667.10	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol.

Mixtures

• Methyl Alcohol + Water + 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol

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
• Volumetric, ultrasonic speed, and viscometric studies of salbutamol sulphate in aqueous methanol solution at different temperatures
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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