Chemical Properties of 1-Propanol, 3-(diethylamino)- (CAS 622-93-5)

InChI

InChI=1S/C7H17NO/c1-3-8(4-2)6-5-7-9/h9H,3-7H2,1-2H3

InChI Key

WKCYFSZDBICRKL-UHFFFAOYSA-N

Formula

C7H17NO

SMILES

CCN(CC)CCCO

Molecular Weight¹

131.22

CAS

622-93-5

Other Names

• 3-(Diethylamino)-1-propanol
• 3-(Diethylamino)propanol
• 3-(Diethylamino)propyl alcohol
• 3-diethylamino-1-propanol
• 3-diethylaminopropan-1-ol
• Diethylpropanolamine
• N,N-Diethyl-3-hydroxypropylamine
• «gamma»-Diaethylaminopropanol
• «gamma»-Diaethylaminopropanol

• ω : Acentric Factor.
• 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).
• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_boil : Boiling point at given pressure (K).
• T_boilr : Boiling point at reduced pressure (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

Property	Value	Unit	Source
ω	0.6491		Relay (1.0) Calculated Property
ΔfG°	-17.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-299.85	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.00	kJ/mol	Joback Calculated Property
ΔvapH°	64.06	kJ/mol	Relay (1.0) Calculated Property
IE	8.56 ± 0.05	eV	NIST
log10WS	0.56		Relay (1.0) Calculated Property
logPoct/wat	0.711		Crippen Calculated Property
McVol	125.340	ml/mol	McGowan Calculated Property
Pc	3086.42	kPa	Joback Calculated Property
Tboil	[462.60; 462.70]	K
Tboil	462.70	K	NIST
Tboil	462.60	K	NIST
Tc	641.41	K	Relay (1.0) Calculated Property
Tfus	215.00	K	Relay (1.0) Calculated Property
Vc	0.441	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[279.08; 341.12]	J/mol×K	[464.18; 623.43]
Cp,gas	279.08	J/mol×K	464.18	Joback Calculated Property
Cp,gas	290.52	J/mol×K	490.72	Joback Calculated Property
Cp,gas	301.50	J/mol×K	517.26	Joback Calculated Property
Cp,gas	312.03	J/mol×K	543.81	Joback Calculated Property
Cp,gas	322.14	J/mol×K	570.35	Joback Calculated Property
Cp,gas	331.83	J/mol×K	596.89	Joback Calculated Property
Cp,gas	341.12	J/mol×K	623.43	Joback Calculated Property

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboil	[353.90; 442.20]	K	[1.80; 69.80]
Tboil	353.90	K	1.80	Vapour-liquid equilibrium study of tertiary amines, single and in blend with 3-(methylamino)propylamine, for post-combustion CO2 capture
Tboil	360.20	K	2.80	Vapour-liquid equilibrium study of tertiary amines, single and in blend with 3-(methylamino)propylamine, for post-combustion CO2 capture
Tboil	405.30	K	19.80	Vapour-liquid equilibrium study of tertiary amines, single and in blend with 3-(methylamino)propylamine, for post-combustion CO2 capture
Tboil	409.20	K	22.30	Vapour-liquid equilibrium study of tertiary amines, single and in blend with 3-(methylamino)propylamine, for post-combustion CO2 capture
Tboil	412.10	K	24.80	Vapour-liquid equilibrium study of tertiary amines, single and in blend with 3-(methylamino)propylamine, for post-combustion CO2 capture
Tboil	420.20	K	34.80	Vapour-liquid equilibrium study of tertiary amines, single and in blend with 3-(methylamino)propylamine, for post-combustion CO2 capture
Tboil	427.30	K	44.80	Vapour-liquid equilibrium study of tertiary amines, single and in blend with 3-(methylamino)propylamine, for post-combustion CO2 capture
Tboil	433.40	K	54.80	Vapour-liquid equilibrium study of tertiary amines, single and in blend with 3-(methylamino)propylamine, for post-combustion CO2 capture
Tboil	440.10	K	64.80	Vapour-liquid equilibrium study of tertiary amines, single and in blend with 3-(methylamino)propylamine, for post-combustion CO2 capture
Tboil	442.20	K	69.80	Vapour-liquid equilibrium study of tertiary amines, single and in blend with 3-(methylamino)propylamine, for post-combustion CO2 capture
Tboilr	[355.20; 357.00]	K	[2.00; 2.70]
Tboilr	355.20	K	2.00	NIST
Tboilr	357.00	K	2.70	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[355.12; 487.93]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.61055e+01
Coefficient B			-4.51369e+03
Coefficient C			-6.97670e+01
Temperature range, min.			355.12
Temperature range, max.			487.93
Pvap	1.33	kPa	355.12	Calculated Property
Pvap	2.90	kPa	369.88	Calculated Property
Pvap	5.87	kPa	384.63	Calculated Property
Pvap	11.16	kPa	399.39	Calculated Property
Pvap	20.06	kPa	414.15	Calculated Property
Pvap	34.38	kPa	428.90	Calculated Property
Pvap	56.45	kPa	443.66	Calculated Property
Pvap	89.28	kPa	458.42	Calculated Property
Pvap	136.53	kPa	473.17	Calculated Property
Pvap	202.64	kPa	487.93	Calculated Property

Similar Compounds

Find more compounds similar to 1-Propanol, 3-(diethylamino)-.

Mixtures

• 1-Propanol, 3-(diethylamino)- + Water
• 1-Propanol, 3-(diethylamino)- + 1,3-Propanediamine, N-methyl- + Water

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Vapour-liquid equilibrium study of tertiary amines, single and in blend with 3-(methylamino)propylamine, for post-combustion CO2 capture
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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