Chemical Properties of 5-Hepten-2-amine, N,6-dimethyl- (CAS 503-01-5)

InChI

InChI=1S/C9H19N/c1-8(2)6-5-7-9(3)10-4/h6,9-10H,5,7H2,1-4H3

InChI Key

XVQUOJBERHHONY-UHFFFAOYSA-N

Formula

C9H19N

SMILES

CNC(C)CCC=C(C)C

Molecular Weight¹

141.25

CAS

503-01-5

Other Names

• 4-Hexenylamine, N,1,5-trimethyl-
• Isometheptene
• Isonyl
• 6-Methylamino-2-methyl-2-heptene
• 2-Methyl-6-methylamino-2-heptene
• Octanil
• Octin
• Octinum
• Octon
• N,1,5-Trimethyl-4-hexenylamine
• 6-Methylamino-2-methylheptene
• Octine

• 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).
• 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).
• I_np : Non-polar retention indices.
• I : 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
ΔfG°	183.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-73.47	kJ/mol	Joback Calculated Property
ΔfusH°	19.53	kJ/mol	Joback Calculated Property
ΔvapH°	41.71	kJ/mol	Joback Calculated Property
log10WS	-2.74		Crippen Calculated Property
logPoct/wat	2.341		Crippen Calculated Property
McVol	143.350	ml/mol	McGowan Calculated Property
Pc	2490.03	kPa	Joback Calculated Property
Inp	[1015.00; 1055.70]
Inp	1033.00		NIST
Inp	1016.00		NIST
Inp	1016.00		NIST
Inp	1054.10		NIST
Inp	1055.70		NIST
Inp	1015.00		NIST
Inp	1023.00		NIST
Inp	1029.00		NIST
Inp	1052.00		NIST
Inp	1052.00		NIST
Inp	1052.00		NIST
I	[1280.00; 1292.00]
I	1280.00		NIST
I	1289.00		NIST
I	1292.00		NIST
Tboil	459.09	K	Joback Calculated Property
Tc	641.36	K	Joback Calculated Property
Tfus	209.81	K	Joback Calculated Property
Vc	0.549	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[306.84; 386.80]	J/mol×K	[459.09; 641.36]
Cp,gas	306.84	J/mol×K	459.09	Joback Calculated Property
Cp,gas	321.82	J/mol×K	489.47	Joback Calculated Property
Cp,gas	336.10	J/mol×K	519.85	Joback Calculated Property
Cp,gas	349.71	J/mol×K	550.22	Joback Calculated Property
Cp,gas	362.68	J/mol×K	580.60	Joback Calculated Property
Cp,gas	375.04	J/mol×K	610.98	Joback Calculated Property
Cp,gas	386.80	J/mol×K	641.36	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5-Hepten-2-amine, N,6-dimethyl-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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