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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[617.81; 679.84]	J/mol×K	[840.18; 1044.11]
Cp,gas	617.81	J/mol×K	840.18	Joback Calculated Property
Cp,gas	628.98	J/mol×K	874.17	Joback Calculated Property
Cp,gas	639.70	J/mol×K	908.16	Joback Calculated Property
Cp,gas	650.05	J/mol×K	942.15	Joback Calculated Property
Cp,gas	660.14	J/mol×K	976.13	Joback Calculated Property
Cp,gas	670.04	J/mol×K	1010.12	Joback Calculated Property
Cp,gas	679.84	J/mol×K	1044.11	Joback 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

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