Chemical Properties of Allyldiethylamine (CAS 5666-17-1)

InChI

InChI=1S/C7H15N/c1-4-7-8(5-2)6-3/h4H,1,5-7H2,2-3H3

InChI Key

JWAJUTZQGZBKFS-UHFFFAOYSA-N

Formula

C7H15N

SMILES

C=CCN(CC)CC

Molecular Weight¹

113.20

CAS

5666-17-1

Other Names

• 2-Propen-1-amine, N,N-diethyl-
• N,N-Diethylallylamine
• N-Allyldiethylamine

• 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).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ω	0.2898		Relay (1.0) Calculated Property
ΔfG°	206.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-0.33	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.63	kJ/mol	Joback Calculated Property
ΔvapH°	39.71	kJ/mol	Relay (1.0) Calculated Property
IE	7.89	eV	Relay (1.0) Calculated Property
log10WS	-0.38		Relay (1.0) Calculated Property
logPoct/wat	1.514		Crippen Calculated Property
McVol	115.170	ml/mol	McGowan Calculated Property
Pc	2921.84	kPa	Joback Calculated Property
Inp	[751.00; 751.00]
Inp	751.00		NIST
Inp	751.00		NIST
Tboil	336.50 ± 0.50	K	NIST
Tc	544.27	K	Relay (1.0) Calculated Property
Tfus	157.39	K	Relay (1.0) Calculated Property
Vc	0.400	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[207.15; 274.56]	J/mol×K	[368.68; 534.54]
Cp,gas	207.15	J/mol×K	368.68	Joback Calculated Property
Cp,gas	219.64	J/mol×K	396.32	Joback Calculated Property
Cp,gas	231.60	J/mol×K	423.97	Joback Calculated Property
Cp,gas	243.06	J/mol×K	451.61	Joback Calculated Property
Cp,gas	254.03	J/mol×K	479.25	Joback Calculated Property
Cp,gas	264.53	J/mol×K	506.90	Joback Calculated Property
Cp,gas	274.56	J/mol×K	534.54	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[249.20; 421.84]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.15534e+01
Coefficient B			-2.41655e+03
Coefficient C			-3.46970e+01
Temperature range, min.			249.20
Temperature range, max.			421.84
Pvap	1.33	kPa	249.20	Calculated Property
Pvap	3.36	kPa	268.38	Calculated Property
Pvap	7.37	kPa	287.56	Calculated Property
Pvap	14.45	kPa	306.75	Calculated Property
Pvap	25.94	kPa	325.93	Calculated Property
Pvap	43.31	kPa	345.11	Calculated Property
Pvap	68.14	kPa	364.29	Calculated Property
Pvap	101.98	kPa	383.48	Calculated Property
Pvap	146.35	kPa	402.66	Calculated Property
Pvap	202.63	kPa	421.84	Calculated Property

Similar Compounds

Find more compounds similar to Allyldiethylamine.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.