Chemical Properties of Ethanamine, N-ethyl-N-nitro-

InChI

InChI=1S/C4H10N2O2/c1-3-5(4-2)6(7)8/h3-4H2,1-2H3

InChI Key

QAXAHXNXXIWQIZ-UHFFFAOYSA-N

Formula

C4H10N2O2

SMILES

CCN(CC)[N+](=O)[O-]

Molecular Weight¹

118.14

Other Names

• Diethylamine, N-nitro-
• Diethylnitramine
• N-Nitrodiethylamine

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase 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).
• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4432		Relay (1.0) Calculated Property
ΔcH°liquid	[-2897.00; -2896.00]	kJ/mol
ΔcH°liquid	-2897.00 ± 8.40	kJ/mol	NIST
ΔcH°liquid	-2896.00	kJ/mol	NIST
ΔfH°gas	-96.28	kJ/mol	Relay (1.0) Calculated Property
ΔfH°liquid	-106.00 ± 8.40	kJ/mol	NIST
ΔfusH°	20.50	kJ/mol	Joback Calculated Property
ΔvapH°	48.82	kJ/mol	Relay (1.0) Calculated Property
IE	9.26	eV	Relay (1.0) Calculated Property
log10WS	-0.96		Relay (1.0) Calculated Property
logPoct/wat	0.520		Crippen Calculated Property
McVol	94.620	ml/mol	McGowan Calculated Property
Pc	3945.61	kPa	Joback Calculated Property
Tboil	476.79	K	Relay (1.0) Calculated Property
Tc	650.43	K	Relay (1.0) Calculated Property
Tfus	244.09	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[49.70; 53.10]	kJ/mol	[338.00; 358.00]
ΔvapH	53.10 ± 3.30	kJ/mol	338.00	NIST
ΔvapH	49.70	kJ/mol	358.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[133.02; 309.95]	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			-5.94800e+00
Coefficient B			6.07100e-01
Coefficient C			-3.84800e-04
Coefficient D			9.36000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	133.02	J/mol×K	273.00	Calculated Property
Cp,gas	164.81	J/mol×K	353.78	Calculated Property
Cp,gas	192.89	J/mol×K	434.56	Calculated Property
Cp,gas	217.53	J/mol×K	515.33	Calculated Property
Cp,gas	239.04	J/mol×K	596.11	Calculated Property
Cp,gas	257.71	J/mol×K	676.89	Calculated Property
Cp,gas	273.84	J/mol×K	757.67	Calculated Property
Cp,gas	287.73	J/mol×K	838.44	Calculated Property
Cp,gas	299.67	J/mol×K	919.22	Calculated Property
Cp,gas	309.95	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Ethanamine, N-ethyl-N-nitro-.

Sources

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

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