Chemical Properties of 3-(2-ETHYLHEXYLOXY)PROPYLAMINE

InChI

InChI=1S/C11H25NO/c1-3-5-7-11(4-2)10-13-9-6-8-12/h11H,3-10,12H2,1-2H3

InChI Key

DVFGEIYOLIFSRX-UHFFFAOYSA-N

Formula

C11H25NO

SMILES

CCCCC(CC)COCCCN

Molecular Weight¹

187.33

Other Names

• 1-Propanamine, 3-[(2-ethylhexyl)oxy]-
• Propylamine, 3-(2-ethylhexoxy)-
• Propylamine, 3-((2-ethylhexyl)oxy)-
• 2-Ethylhexyl 3-aminopropyl ether
• 3-(2-Ethylhexoxy)propylamine
• NSC 1078
• 3-(2-Ethylhexoxy)propan-1-amine

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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.
• 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	0.6477		Relay (1.0) Calculated Property
ΔfH°gas	-382.90	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.11	kJ/mol	Joback Calculated Property
ΔvapH°	65.63	kJ/mol	Relay (1.0) Calculated Property
log10WS	-2.63		Relay (1.0) Calculated Property
logPoct/wat	2.568		Crippen Calculated Property
McVol	181.700	ml/mol	McGowan Calculated Property
Pc	2018.13	kPa	Joback Calculated Property
Inp	[1357.00; 1357.00]
Inp	1357.00		NIST
Inp	1357.00		NIST
Tboil	517.97	K	Relay (1.0) Calculated Property
Tc	687.80	K	Relay (1.0) Calculated Property
Tfus	211.08	K	Relay (1.0) Calculated Property
Vc	0.644	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Ionization energy 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	[274.30; 641.84]	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			2.31980e+01
Coefficient B			1.05344e+00
Coefficient C			-5.10200e-04
Coefficient D			7.54000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	274.30	J/mol×K	273.00	Calculated Property
Cp,gas	335.36	J/mol×K	353.78	Calculated Property
Cp,gas	390.82	J/mol×K	434.56	Calculated Property
Cp,gas	440.90	J/mol×K	515.33	Calculated Property
Cp,gas	485.84	J/mol×K	596.11	Calculated Property
Cp,gas	525.88	J/mol×K	676.89	Calculated Property
Cp,gas	561.26	J/mol×K	757.67	Calculated Property
Cp,gas	592.23	J/mol×K	838.44	Calculated Property
Cp,gas	619.00	J/mol×K	919.22	Calculated Property
Cp,gas	641.84	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 3-(2-ETHYLHEXYLOXY)PROPYLAMINE.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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