Chemical Properties of Tuaminoheptane (CAS 123-82-0)

InChI

InChI=1S/C7H17N/c1-3-4-5-6-7(2)8/h7H,3-6,8H2,1-2H3

InChI Key

VSRBKQFNFZQRBM-UHFFFAOYSA-N

Formula

C7H17N

SMILES

CCCCCC(C)N

Molecular Weight¹

115.22

CAS

123-82-0

Other Names

• (.+/-.)-2-Aminoheptane
• 1-Methylhexanamine
• 1-methylhexylamine
• 2-Heptylamine
• 2-aminoheptane
• 2-heptanamine
• Armeen L-7
• DL-2-Aminoheptane
• Heptamine
• Heptamine, sympathomimetic
• Heptedrine
• Heptin
• Hexylamine, 1-methyl-
• NSC 1091
• Rineptil
• Rineptyl
• Tuamine
• Tuaminoheptan

• 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.
• I_p : 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	0.4536		Relay (1.0) Calculated Property
ΔfG°	72.07	kJ/mol	Joback Calculated Property
ΔfH°gas	-170.73	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.56	kJ/mol	Joback Calculated Property
ΔvapH°	45.57	kJ/mol	Relay (1.0) Calculated Property
IE	8.46	eV	Relay (1.0) Calculated Property
log10WS	-2.18		Relay (1.0) Calculated Property
logPoct/wat	1.914		Crippen Calculated Property
McVol	119.470	ml/mol	McGowan Calculated Property
Pc	3002.44	kPa	Joback Calculated Property
Inp	[802.00; 863.00]
Inp	863.00		NIST
Inp	802.00		NIST
Inp	807.00		NIST
Inp	810.00		NIST
Inp	863.00		NIST
Ip	[1079.00; 1158.00]
Ip	1079.00		NIST
Ip	1158.00		NIST
Ip	1158.00		NIST
Tboil	[414.15; 415.20]	K
Tboil	415.20	K	NIST
Tboil	414.15 ± 3.00	K	NIST
Tc	[598.00; 598.00]	K
Tc	598.00	K	Gas-Liquid Critical Temperatures of Some Alkenes, Amines, and Cyclic Hydrocarbons
Tc	598.00	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 9 Compiled value
Tfus	220.61	K	Relay (1.0) Calculated Property
Vc	0.446	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[174.04; 416.97]	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			1.33400e+00
Coefficient B			7.36640e-01
Coefficient C			-4.03600e-04
Coefficient D			8.26000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	174.04	J/mol×K	273.00	Calculated Property
Cp,gas	215.08	J/mol×K	353.78	Calculated Property
Cp,gas	252.01	J/mol×K	434.56	Calculated Property
Cp,gas	285.07	J/mol×K	515.33	Calculated Property
Cp,gas	314.53	J/mol×K	596.11	Calculated Property
Cp,gas	340.65	J/mol×K	676.89	Calculated Property
Cp,gas	363.70	J/mol×K	757.67	Calculated Property
Cp,gas	383.93	J/mol×K	838.44	Calculated Property
Cp,gas	401.60	J/mol×K	919.22	Calculated Property
Cp,gas	416.97	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[314.12; 439.24]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.56533e+01
Coefficient B			-3.95757e+03
Coefficient C			-5.65620e+01
Temperature range, min.			314.12
Temperature range, max.			439.24
Pvap	1.33	kPa	314.12	Calculated Property
Pvap	2.93	kPa	328.02	Calculated Property
Pvap	5.96	kPa	341.92	Calculated Property
Pvap	11.35	kPa	355.83	Calculated Property
Pvap	20.41	kPa	369.73	Calculated Property
Pvap	34.93	kPa	383.63	Calculated Property
Pvap	57.20	kPa	397.53	Calculated Property
Pvap	90.13	kPa	411.44	Calculated Property
Pvap	137.23	kPa	425.34	Calculated Property
Pvap	202.66	kPa	439.24	Calculated Property

Similar Compounds

Find more compounds similar to Tuaminoheptane.

Sources

• IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 9 ChEDL chemicals 1.5.2, from Marsh, K. N.; Young, C. L.; Morton, D. W.; Ambrose, D.; Tsonopoulos, C. Vapor-Liquid Critical Properties of Elements and Compounds. 9. Organic Compounds Containing Nitrogen. J. Chem. Eng. Data 2006, 51, 305-314.
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Gas-Liquid Critical Temperatures of Some Alkenes, Amines, and Cyclic Hydrocarbons
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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