Chemical Properties of 1-Dodecanamine, N,N-diethyl- (CAS 4271-27-6)

InChI

InChI=1S/C16H35N/c1-4-7-8-9-10-11-12-13-14-15-16-17(5-2)6-3/h4-16H2,1-3H3

InChI Key

IOKYPACLTOWHCM-UHFFFAOYSA-N

Formula

C16H35N

SMILES

CCCCCCCCCCCCN(CC)CC

Molecular Weight¹

241.46

CAS

4271-27-6

Other Names

• Diethyldodecylamine
• Dodecylamine, N,N-diethyl-
• N,N-Diethyl dodecyl amine
• N-Dodecyldiethylamine

• 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	0.7093		Relay (1.0) Calculated Property
ΔfG°	194.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-322.81	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.22	kJ/mol	Joback Calculated Property
ΔvapH°	76.69	kJ/mol	Relay (1.0) Calculated Property
IE	7.94	eV	Relay (1.0) Calculated Property
log10WS	-5.32		Relay (1.0) Calculated Property
logPoct/wat	5.249		Crippen Calculated Property
McVol	246.280	ml/mol	McGowan Calculated Property
Pc	1316.56	kPa	Joback Calculated Property
Inp	[1642.00; 1642.00]
Inp	1642.00		NIST
Inp	1642.00		NIST
Tboil	550.09	K	Relay (1.0) Calculated Property
Tc	708.11	K	Relay (1.0) Calculated Property
Tfus	241.96	K	Relay (1.0) Calculated Property
Vc	0.958	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[651.37; 757.14]	J/mol×K	[577.92; 735.96]
Cp,gas	651.37	J/mol×K	577.92	Joback Calculated Property
Cp,gas	670.88	J/mol×K	604.26	Joback Calculated Property
Cp,gas	689.61	J/mol×K	630.60	Joback Calculated Property
Cp,gas	707.58	J/mol×K	656.94	Joback Calculated Property
Cp,gas	724.81	J/mol×K	683.28	Joback Calculated Property
Cp,gas	741.32	J/mol×K	709.62	Joback Calculated Property
Cp,gas	757.14	J/mol×K	735.96	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[422.12; 590.13]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.51205e+01
Coefficient B			-4.86561e+03
Coefficient C			-9.40920e+01
Temperature range, min.			422.12
Temperature range, max.			590.13
Pvap	1.33	kPa	422.12	Calculated Property
Pvap	2.96	kPa	440.79	Calculated Property
Pvap	6.07	kPa	459.46	Calculated Property
Pvap	11.60	kPa	478.12	Calculated Property
Pvap	20.86	kPa	496.79	Calculated Property
Pvap	35.63	kPa	515.46	Calculated Property
Pvap	58.16	kPa	534.13	Calculated Property
Pvap	91.21	kPa	552.79	Calculated Property
Pvap	138.10	kPa	571.46	Calculated Property
Pvap	202.66	kPa	590.13	Calculated Property

Similar Compounds

Find more compounds similar to 1-Dodecanamine, N,N-diethyl-.

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.