Chemical Properties of 2,2'-(tert-Butylimino)diethanol (CAS 2160-93-2)

InChI

InChI=1S/C8H19NO2/c1-8(2,3)9(4-6-10)5-7-11/h10-11H,4-7H2,1-3H3

InChI Key

XHJGXOOOMKCJPP-UHFFFAOYSA-N

Formula

C8H19NO2

SMILES

CC(C)(C)N(CCO)CCO

Molecular Weight¹

161.24

CAS

2160-93-2

Other Names

• 2,2'-[(1,1-dimethylethyl)imino]bisethanol
• 2,2-(tert-Butylimino)diethanol
• Ethanol, 2,2'-[(1,1-dimethylethyl)imino]bis-
• N-t-Butyldiethanolamine
• N-tert-Butyl-2,2'-iminodiethanol
• N-tert-Butyldiethanolamine
• tert-Butyldiethanolamine

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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 Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[214.24; 508.89]	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			-2.89660e+01
Coefficient B			1.08156e+00
Coefficient C			-7.56600e-04
Coefficient D			2.12900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	214.24	J/mol×K	273.00	Calculated Property
Cp,gas	268.40	J/mol×K	353.78	Calculated Property
Cp,gas	315.63	J/mol×K	434.56	Calculated Property
Cp,gas	356.61	J/mol×K	515.33	Calculated Property
Cp,gas	392.01	J/mol×K	596.11	Calculated Property
Cp,gas	422.50	J/mol×K	676.89	Calculated Property
Cp,gas	448.76	J/mol×K	757.67	Calculated Property
Cp,gas	471.47	J/mol×K	838.44	Calculated Property
Cp,gas	491.29	J/mol×K	919.22	Calculated Property
Cp,gas	508.89	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[391.45; 592.51]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.31643e+01
Coefficient B			-4.04682e+03
Coefficient C			-7.71800e+01
Temperature range, min.			391.45
Temperature range, max.			592.51
Pvap	1.33	kPa	391.45	Calculated Property
Pvap	3.13	kPa	413.79	Calculated Property
Pvap	6.62	kPa	436.13	Calculated Property
Pvap	12.82	kPa	458.47	Calculated Property
Pvap	23.06	kPa	480.81	Calculated Property
Pvap	39.02	kPa	503.15	Calculated Property
Pvap	62.65	kPa	525.49	Calculated Property
Pvap	96.16	kPa	547.83	Calculated Property
Pvap	141.97	kPa	570.17	Calculated Property
Pvap	202.65	kPa	592.51	Calculated Property

Similar Compounds

Find more compounds similar to 2,2'-(tert-Butylimino)diethanol.

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
• The Yaws Handbook of Vapor Pressure

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