Chemical Properties of 3-(Diethylamino)-1,2-propanediol (CAS 621-56-7)

InChI

InChI=1S/C7H17NO2/c1-3-8(4-2)5-7(10)6-9/h7,9-10H,3-6H2,1-2H3

InChI Key

LTACQVCHVAUOKN-UHFFFAOYSA-N

Formula

C7H17NO2

SMILES

CCN(CC)CC(O)CO

Molecular Weight¹

147.22

CAS

621-56-7

Other Names

• 1,2-Propanediol, 3-(diethylamino)-
• 3-(diethylamino)propane-1,2-diol

• 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).
• P_vap : Vapor 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	[333.70; 388.49]	J/mol×K	[555.92; 714.63]
Cp,gas	333.70	J/mol×K	555.92	Joback Calculated Property
Cp,gas	343.87	J/mol×K	582.37	Joback Calculated Property
Cp,gas	353.60	J/mol×K	608.82	Joback Calculated Property
Cp,gas	362.91	J/mol×K	635.27	Joback Calculated Property
Cp,gas	371.82	J/mol×K	661.72	Joback Calculated Property
Cp,gas	380.34	J/mol×K	688.17	Joback Calculated Property
Cp,gas	388.49	J/mol×K	714.63	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[405.72; 529.66]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.84274e+01
Coefficient B			-5.86973e+03
Coefficient C			-8.21380e+01
Temperature range, min.			405.72
Temperature range, max.			529.66
Pvap	1.33	kPa	405.72	Calculated Property
Pvap	2.80	kPa	419.49	Calculated Property
Pvap	5.53	kPa	433.26	Calculated Property
Pvap	10.40	kPa	447.03	Calculated Property
Pvap	18.66	kPa	460.80	Calculated Property
Pvap	32.15	kPa	474.58	Calculated Property
Pvap	53.38	kPa	488.35	Calculated Property
Pvap	85.73	kPa	502.12	Calculated Property
Pvap	133.61	kPa	515.89	Calculated Property
Pvap	202.63	kPa	529.66	Calculated Property

Similar Compounds

Find more compounds similar to 3-(Diethylamino)-1,2-propanediol.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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