Chemical Properties of 1-Dodecanamine, N-dodecyl- (CAS 3007-31-6)

InChI

InChI=1S/C24H51N/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h25H,3-24H2,1-2H3

InChI Key

MJCJUDJQDGGKOX-UHFFFAOYSA-N

Formula

C24H51N

SMILES

CCCCCCCCCCCCNCCCCCCCCCCCC

Molecular Weight¹

353.68

CAS

3007-31-6

Other Names

• Alamine 204
• Di-n-dodecylamine
• Didodecylamine
• Dilaurylamine

• 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	1.0592		Relay (1.0) Calculated Property
ΔfG°	240.59	kJ/mol	Joback Calculated Property
ΔfH°gas	-504.84	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	63.01	kJ/mol	Joback Calculated Property
ΔvapH°	118.63	kJ/mol	Relay (1.0) Calculated Property
IE	8.51	eV	Relay (1.0) Calculated Property
log10WS	-8.11		Relay (1.0) Calculated Property
logPoct/wat	8.418		Crippen Calculated Property
McVol	359.000	ml/mol	McGowan Calculated Property
Pc	812.14	kPa	Joback Calculated Property
Inp	[2543.00; 2543.00]
Inp	2543.00		NIST
Inp	2543.00		NIST
Tboil	632.19	K	Relay (1.0) Calculated Property
Tc	791.63	K	Relay (1.0) Calculated Property
Tfus	[317.55; 331.15]	K
Tfus	328.65 ± 2.00	K	NIST
Tfus	320.10 ± 0.50	K	NIST
Tfus	320.05 ± 5.00	K	NIST
Tfus	325.15 ± 6.00	K	NIST
Tfus	326.15 ± 6.00	K	NIST
Tfus	328.65 ± 8.00	K	NIST
Tfus	331.15 ± 8.00	K	NIST
Tfus	317.55 ± 3.00	K	NIST
Tfus	331.15 ± 6.00	K	NIST
Tfus	331.15 ± 8.00	K	NIST
Tfus	328.65 ± 8.00	K	NIST
Vc	1.424	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1161.29; 1281.93]	J/mol×K	[798.69; 977.92]
Cp,gas	1161.29	J/mol×K	798.69	Joback Calculated Property
Cp,gas	1184.02	J/mol×K	828.56	Joback Calculated Property
Cp,gas	1205.64	J/mol×K	858.43	Joback Calculated Property
Cp,gas	1226.20	J/mol×K	888.30	Joback Calculated Property
Cp,gas	1245.73	J/mol×K	918.18	Joback Calculated Property
Cp,gas	1264.30	J/mol×K	948.05	Joback Calculated Property
Cp,gas	1281.93	J/mol×K	977.92	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[522.92; 717.82]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.54625e+01
Coefficient B			-5.97587e+03
Coefficient C			-1.29120e+02
Temperature range, min.			522.92
Temperature range, max.			717.82
Pvap	1.33	kPa	522.92	Calculated Property
Pvap	2.94	kPa	544.58	Calculated Property
Pvap	6.00	kPa	566.23	Calculated Property
Pvap	11.43	kPa	587.89	Calculated Property
Pvap	20.57	kPa	609.54	Calculated Property
Pvap	35.17	kPa	631.20	Calculated Property
Pvap	57.53	kPa	652.85	Calculated Property
Pvap	90.50	kPa	674.51	Calculated Property
Pvap	137.53	kPa	696.16	Calculated Property
Pvap	202.66	kPa	717.82	Calculated Property

Similar Compounds

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

Sources

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

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