Chemical Properties of 2-Amino-2-methyl-1,3-propanediol (CAS 115-69-5)

InChI

InChI=1S/C4H11NO2/c1-4(5,2-6)3-7/h6-7H,2-3,5H2,1H3

InChI Key

UXFQFBNBSPQBJW-UHFFFAOYSA-N

Formula

C4H11NO2

SMILES

CC(N)(CO)CO

Molecular Weight¹

105.14

CAS

115-69-5

Other Names

• 1,1-Di(hydroxymethyl)ethylamine
• 1,3-Dihydroxy-2-amino-2-methylpropane
• 1,3-Dihydroxy-2-methyl-2-propylamine
• 1,3-propanediol, 2-amino-2-methyl-
• 2-Amino-2-methylpropan-1,3-diol
• 2-Amino-2-methylpropane-1,3-diol
• AMPD
• Aminoglycol
• Gentimon
• Isobutandiol-2-amine
• NSC 6364

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase 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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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).
• P_vap : Vapor pressure (kPa).
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• 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).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.7371		Relay (1.0) Calculated Property
ΔfG°	-221.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-390.00	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.55	kJ/mol	Heat capacity measurement of organic thermal energy storage materials
ΔvapH°	76.40	kJ/mol	Relay (1.0) Calculated Property
IE	9.35	eV	Relay (1.0) Calculated Property
log10WS	-0.32		Relay (1.0) Calculated Property
logPoct/wat	-1.312		Crippen Calculated Property
McVol	88.940	ml/mol	McGowan Calculated Property
Pc	5552.58	kPa	Joback Calculated Property
Tboil	534.32	K	Relay (1.0) Calculated Property
Tc	719.18	K	Relay (1.0) Calculated Property
Tfus	384.00 ± 2.00	K	NIST
Ttriple	[384.08; 384.08]	K
Ttriple	384.08 ± 0.05	K	NIST
Ttriple	384.08 ± 0.05	K	NIST
Vc	0.311	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,solid	161.37	J/mol×K	301.40	NIST
ΔfusH	[2.73; 25.21]	kJ/mol	[338.00; 384.10]
ΔfusH	2.78	kJ/mol	338.00	NIST
ΔfusH	2.78	kJ/mol	338.00	NIST
ΔfusH	24.68	kJ/mol	351.30	NIST
ΔfusH	25.21	kJ/mol	352.00	NIST
ΔfusH	5.00	kJ/mol	352.90	NIST
ΔfusH	5.00	kJ/mol	352.90	NIST
ΔfusH	18.46	kJ/mol	353.70	NIST
ΔfusH	2.73	kJ/mol	383.60	NIST
ΔfusH	2.99	kJ/mol	384.00	NIST
ΔfusH	2.99	kJ/mol	384.00	NIST
ΔfusH	2.76	kJ/mol	384.10	NIST
ΔfusH	2.78	kJ/mol	384.10	NIST
ΔfusS	[7.12; 71.61]	J/mol×K	[351.30; 384.10]
ΔfusS	70.26	J/mol×K	351.30	NIST
ΔfusS	71.61	J/mol×K	352.00	NIST
ΔfusS	14.17	J/mol×K	352.90	NIST
ΔfusS	14.17	J/mol×K	352.90	NIST
ΔfusS	52.19	J/mol×K	353.70	NIST
ΔfusS	7.12	J/mol×K	383.60	NIST
ΔfusS	7.79	J/mol×K	384.00	NIST
ΔfusS	7.24	J/mol×K	384.10	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[134.25; 300.47]	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			-8.14800e+00
Coefficient B			6.39520e-01
Coefficient C			-4.69800e-04
Coefficient D			1.38900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	134.25	J/mol×K	273.00	Calculated Property
Cp,gas	165.45	J/mol×K	353.78	Calculated Property
Cp,gas	192.44	J/mol×K	434.56	Calculated Property
Cp,gas	215.66	J/mol×K	515.33	Calculated Property
Cp,gas	235.56	J/mol×K	596.11	Calculated Property
Cp,gas	252.56	J/mol×K	676.89	Calculated Property
Cp,gas	267.12	J/mol×K	757.67	Calculated Property
Cp,gas	279.66	J/mol×K	838.44	Calculated Property
Cp,gas	290.63	J/mol×K	919.22	Calculated Property
Cp,gas	300.47	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.60]	kPa	[420.32; 467.63]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			4.06801e+01
Coefficient B			-1.34550e+04
Coefficient C			-8.72100e+01
Temperature range, min.			420.32
Temperature range, max.			467.63
Pvap	1.33	kPa	420.32	Calculated Property
Pvap	2.50	kPa	425.58	Calculated Property
Pvap	4.59	kPa	430.83	Calculated Property
Pvap	8.28	kPa	436.09	Calculated Property
Pvap	14.68	kPa	441.35	Calculated Property
Pvap	25.58	kPa	446.60	Calculated Property
Pvap	43.89	kPa	451.86	Calculated Property
Pvap	74.14	kPa	457.12	Calculated Property
Pvap	123.43	kPa	462.37	Calculated Property
Pvap	202.60	kPa	467.63	Calculated Property

Similar Compounds

Find more compounds similar to 2-Amino-2-methyl-1,3-propanediol.

Mixtures

• 2-Amino-2-methyl-1,3-propanediol + 1,2-Ethanediol + Potassium carbonate
• 2-Amino-2-methyl-1,3-propanediol + Glycerin + Potassium carbonate

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Heat capacity measurement of organic thermal energy storage materials
• Density and refractive index measurements of transition-temperature mixture (deep eutectic analogues) based on potassium carbonate with dual hydrogen bond donors for CO2 capture
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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