Chemical Properties of 1,1,1-Trinitro-2-ethoxypropane

InChI

InChI=1S/C5H9N3O7/c1-3-15-4(2)5(6(9)10,7(11)12)8(13)14/h4H,3H2,1-2H3

InChI Key

HTKFBMXRRYDJDL-UHFFFAOYSA-N

Formula

C5H9N3O7

SMILES

CCOC(C)C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

Molecular Weight¹

223.14

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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 a given temperature (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[401.28; 442.78]	J/mol×K	[788.07; 1055.12]
Cp,gas	401.28	J/mol×K	788.07	Joback Calculated Property
Cp,gas	410.33	J/mol×K	832.58	Joback Calculated Property
Cp,gas	418.43	J/mol×K	877.09	Joback Calculated Property
Cp,gas	425.66	J/mol×K	921.60	Joback Calculated Property
Cp,gas	432.09	J/mol×K	966.11	Joback Calculated Property
Cp,gas	437.77	J/mol×K	1010.61	Joback Calculated Property
Cp,gas	442.78	J/mol×K	1055.12	Joback Calculated Property
ΔvapH	57.70	kJ/mol	301.50	NIST

Similar Compounds

Find more compounds similar to 1,1,1-Trinitro-2-ethoxypropane.

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

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