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

• 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).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[617.74; 679.77]	J/mol×K	[839.98; 1043.86]
Cp,gas	617.74	J/mol×K	839.98	Joback Calculated Property
Cp,gas	628.91	J/mol×K	873.96	Joback Calculated Property
Cp,gas	639.63	J/mol×K	907.94	Joback Calculated Property
Cp,gas	649.98	J/mol×K	941.92	Joback Calculated Property
Cp,gas	660.07	J/mol×K	975.90	Joback Calculated Property
Cp,gas	669.97	J/mol×K	1009.88	Joback Calculated Property
Cp,gas	679.77	J/mol×K	1043.86	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method

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