Chemical Properties of 1-Heptanamine, N,N-dimethyl- (CAS 5277-11-2)

InChI

InChI=1S/C9H21N/c1-4-5-6-7-8-9-10(2)3/h4-9H2,1-3H3

InChI Key

LSICDRUYCNGRIF-UHFFFAOYSA-N

Formula

C9H21N

SMILES

CCCCCCCN(C)C

Molecular Weight¹

143.27

CAS

5277-11-2

Other Names

• Dimethyl(n-heptyl)amine
• Dimethylheptylamine
• N,N-dimethylheptylamine

• 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	0.4688		Relay (1.0) Calculated Property
ΔfG°	135.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-157.77	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.09	kJ/mol	Joback Calculated Property
ΔvapH°	46.99	kJ/mol	Relay (1.0) Calculated Property
IE	8.01	eV	Relay (1.0) Calculated Property
log10WS	-2.44		Relay (1.0) Calculated Property
logPoct/wat	2.518		Crippen Calculated Property
McVol	147.650	ml/mol	McGowan Calculated Property
Pc	2302.53	kPa	Joback Calculated Property
Inp	[1102.00; 1102.00]
Inp	1102.00		NIST
Inp	1102.00		NIST
Tboil	[443.15; 445.15]	K
Tboil	443.15 ± 3.00	K	NIST
Tboil	445.15 ± 3.00	K	NIST
Tc	604.35	K	Relay (1.0) Calculated Property
Tfus	205.56	K	Relay (1.0) Calculated Property
Vc	0.581	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[303.35; 385.27]	J/mol×K	[417.76; 579.60]
Cp,gas	303.35	J/mol×K	417.76	Joback Calculated Property
Cp,gas	318.41	J/mol×K	444.73	Joback Calculated Property
Cp,gas	332.88	J/mol×K	471.71	Joback Calculated Property
Cp,gas	346.79	J/mol×K	498.68	Joback Calculated Property
Cp,gas	360.15	J/mol×K	525.66	Joback Calculated Property
Cp,gas	372.97	J/mol×K	552.63	Joback Calculated Property
Cp,gas	385.27	J/mol×K	579.60	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[338.12; 467.95]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.58840e+01
Coefficient B			-4.26123e+03
Coefficient C			-6.49020e+01
Temperature range, min.			338.12
Temperature range, max.			467.95
Pvap	1.33	kPa	338.12	Calculated Property
Pvap	2.91	kPa	352.55	Calculated Property
Pvap	5.91	kPa	366.97	Calculated Property
Pvap	11.25	kPa	381.40	Calculated Property
Pvap	20.23	kPa	395.82	Calculated Property
Pvap	34.64	kPa	410.25	Calculated Property
Pvap	56.81	kPa	424.67	Calculated Property
Pvap	89.69	kPa	439.10	Calculated Property
Pvap	136.87	kPa	453.52	Calculated Property
Pvap	202.66	kPa	467.95	Calculated Property

Similar Compounds

Find more compounds similar to 1-Heptanamine, N,N-dimethyl-.

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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