Chemical Properties of 1-Heptanamine, N-heptyl- (CAS 2470-68-0)

InChI

InChI=1S/C14H31N/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h15H,3-14H2,1-2H3

InChI Key

NJWMENBYMFZACG-UHFFFAOYSA-N

Formula

C14H31N

SMILES

CCCCCCCNCCCCCCC

Molecular Weight¹

213.40

CAS

2470-68-0

Other Names

• Di-n-heptylamine
• Diheptylamine
• N-heptyl-1-heptanamine

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• P_vap : Vapor pressure (kPa).
• 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°	156.39	kJ/mol	Joback Calculated Property
ΔfH°gas	-278.82	kJ/mol	Joback Calculated Property
ΔfusH°	37.12	kJ/mol	Joback Calculated Property
ΔvapH°	53.19	kJ/mol	Joback Calculated Property
log10WS	-4.87		Crippen Calculated Property
logPoct/wat	4.517		Crippen Calculated Property
McVol	218.100	ml/mol	McGowan Calculated Property
Pc	1539.08	kPa	Joback Calculated Property
I	[1700.00; 1700.00]
I	1700.00		NIST
I	1700.00		NIST
I	1700.00		NIST
Tboil	[544.15; 548.15]	K
Tboil	548.15 ± 10.00	K	NIST
Tboil	545.65 ± 5.00	K	NIST
Tboil	544.15 ± 3.00	K	NIST
Tc	732.88	K	Joback Calculated Property
Tfus	[274.15; 303.15]	K
Tfus	274.15 ± 1.00	K	NIST
Tfus	274.15 ± 2.00	K	NIST
Tfus	274.15 ± 1.00	K	NIST
Tfus	303.15 ± 2.00	K	NIST
Vc	0.855	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[567.82; 665.26]	J/mol×K	[569.89; 732.88]
Cp,gas	567.82	J/mol×K	569.89	Joback Calculated Property
Cp,gas	585.80	J/mol×K	597.06	Joback Calculated Property
Cp,gas	603.06	J/mol×K	624.22	Joback Calculated Property
Cp,gas	619.61	J/mol×K	651.39	Joback Calculated Property
Cp,gas	635.48	J/mol×K	678.55	Joback Calculated Property
Cp,gas	650.69	J/mol×K	705.72	Joback Calculated Property
Cp,gas	665.26	J/mol×K	732.88	Joback Calculated Property
ΔvapH	[60.00; 81.20]	kJ/mol	[298.15; 520.00]
ΔvapH	81.20	kJ/mol	298.15	The vap...
ΔvapH	60.00	kJ/mol	520.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[418.12; 575.30]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.57126e+01
Coefficient B			-5.01957e+03
Coefficient C			-9.27020e+01
Temperature range, min.			418.12
Temperature range, max.			575.30
Pvap	1.33	kPa	418.12	Calculated Property
Pvap	2.92	kPa	435.58	Calculated Property
Pvap	5.95	kPa	453.05	Calculated Property
Pvap	11.32	kPa	470.51	Calculated Property
Pvap	20.36	kPa	487.98	Calculated Property
Pvap	34.85	kPa	505.44	Calculated Property
Pvap	57.10	kPa	522.91	Calculated Property
Pvap	90.01	kPa	540.37	Calculated Property
Pvap	137.13	kPa	557.84	Calculated Property
Pvap	202.64	kPa	575.30	Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• The vaporization enthalpy and vapor pressure of S (+)-methamphetamine at T = 298.15 K by correlation gas chromatography
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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