Chemical Properties of 2-(tert-Butylamino)ethanol (CAS 4620-70-6)

InChI

InChI=1S/C6H15NO/c1-6(2,3)7-4-5-8/h7-8H,4-5H2,1-3H3

InChI Key

IUXYVKZUDNLISR-UHFFFAOYSA-N

Formula

C6H15NO

SMILES

CC(C)(C)NCCO

Molecular Weight¹

117.19

CAS

4620-70-6

Other Names

• Ethanol, 2-(tert-butylamino)-
• Ethanol, 2-[(1,1-dimethylethyl)amino]-
• N-t-Butylethanolamine
• N-tert-Butylethanolamine
• NSC 78430
• tert-Butylaminoethanol
• tert-Butylethanolamine
• «beta»-tert-Butylaminoethanol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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_boilr : Boiling point at reduced pressure (K).
• T_c : Critical 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 Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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.

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[364.00; 364.20]	K	[3.30; 3.30]
Tboilr	364.20	K	3.30	NIST
Tboilr	364.00 ± 1.00	K	3.30	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[159.99; 385.90]	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			-2.29580e+01
Coefficient B			8.09860e-01
Coefficient C			-5.53400e-04
Coefficient D			1.52400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	159.99	J/mol×K	273.00	Calculated Property
Cp,gas	201.04	J/mol×K	353.78	Calculated Property
Cp,gas	236.97	J/mol×K	434.56	Calculated Property
Cp,gas	268.28	J/mol×K	515.33	Calculated Property
Cp,gas	295.44	J/mol×K	596.11	Calculated Property
Cp,gas	318.94	J/mol×K	676.89	Calculated Property
Cp,gas	339.25	J/mol×K	757.67	Calculated Property
Cp,gas	356.86	J/mol×K	838.44	Calculated Property
Cp,gas	372.25	J/mol×K	919.22	Calculated Property
Cp,gas	385.90	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-(tert-Butylamino)ethanol.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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