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

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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	19.53	kJ/mol	Joback Calculated Property
ΔvapH°	52.19	kJ/mol	Relay (1.0) Calculated Property
IE	7.78	eV	Relay (1.0) Calculated Property
logPoct/wat	2.341		Crippen Calculated Property
McVol	143.350	ml/mol	McGowan 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
Inp	1054.10		NIST
Inp	1015.00		NIST
Inp	1033.00		NIST
Ip	[1280.00; 1292.00]
Ip	1280.00		NIST
Ip	1289.00		NIST
Ip	1292.00		NIST
Ip	1280.00		NIST
Tboil	447.03	K	Relay (1.0) Calculated Property
Tfus	228.51	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[198.42; 490.22]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-2.20580e+01
Coefficient B			9.60880e-01
Coefficient C			-6.03700e-04
Coefficient D			1.55100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	198.42	J/mol×K	273.00	Calculated Property
Cp,gas	249.19	J/mol×K	353.78	Calculated Property
Cp,gas	294.22	J/mol×K	434.56	Calculated Property
Cp,gas	334.02	J/mol×K	515.33	Calculated Property
Cp,gas	369.06	J/mol×K	596.11	Calculated Property
Cp,gas	399.85	J/mol×K	676.89	Calculated Property
Cp,gas	426.87	J/mol×K	757.67	Calculated Property
Cp,gas	450.61	J/mol×K	838.44	Calculated Property
Cp,gas	471.56	J/mol×K	919.22	Calculated Property
Cp,gas	490.22	J/mol×K	1000.00	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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