Chemical Properties of 1,2-Ethanediol, dinitrate

InChI

InChI=1S/C2H4N2O6/c5-3(6)9-1-2-10-4(7)8/h1-2H2

InChI Key

UQXKXGWGFRWILX-UHFFFAOYSA-N

Formula

C2H4N2O6

SMILES

O=[N+]([O-])OCCO[N+](=O)[O-]

Molecular Weight¹

152.06

Other Names

• 1,2-Ethanediol, dinitrate
• Ethylene dinitrate
• Ethylene nitrate
• EGDN
• Glycol dinitrate
• Nitroglycol
• Dinitroglicol
• Dinitroglycol
• Ethanediol dinitrate
• Ethylenglykoldinitrat
• Glycoldinitraat
• Glykoldinitrat
• Nitroglykol
• 1,2-Ethanediol, 1,2-dinitrate

• 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_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	-1123.30	kJ/mol	NIST
ΔfH°gas	-191.19	kJ/mol	Relay (1.0) Calculated Property
ΔfH°liquid	-233.00	kJ/mol	NIST
ΔfusH°	26.03	kJ/mol	Joback Calculated Property
ΔsubH°	103.80	kJ/mol	NIST
ΔvapH°	70.50	kJ/mol	NIST
IE	11.23	eV	Relay (1.0) Calculated Property
log10WS	-1.51		Relay (1.0) Calculated Property
logPoct/wat	-0.597		Crippen Calculated Property
McVol	85.620	ml/mol	McGowan Calculated Property
Inp	[1032.05; 1050.99]
Inp	1034.50		NIST
Inp	Outlier 1050.99		NIST
Inp	1032.05		NIST
Inp	1039.73		NIST
Inp	1032.05		NIST
Inp	1034.50		NIST
Tboil	444.70	K	Relay (1.0) Calculated Property
Tfus	281.19	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[202.05; 237.90]	J/mol×K	[593.68; 833.79]
Cp,gas	202.05	J/mol×K	593.68	Joback Calculated Property
Cp,gas	209.13	J/mol×K	633.70	Joback Calculated Property
Cp,gas	215.80	J/mol×K	673.72	Joback Calculated Property
Cp,gas	222.03	J/mol×K	713.74	Joback Calculated Property
Cp,gas	227.81	J/mol×K	753.75	Joback Calculated Property
Cp,gas	233.11	J/mol×K	793.77	Joback Calculated Property
Cp,gas	237.90	J/mol×K	833.79	Joback Calculated Property
ΔsubH	[105.10; 105.40]	kJ/mol	[358.50; 369.00]
ΔsubH	105.10	kJ/mol	358.50	NIST
ΔsubH	105.40	kJ/mol	369.00	NIST
ΔvapH	[55.30; 68.60]	kJ/mol	[269.00; 404.00]
ΔvapH	68.30	kJ/mol	269.00	NIST
ΔvapH	68.60 ± 0.40	kJ/mol	308.00	NIST
ΔvapH	62.30 ± 0.40	kJ/mol	334.00	NIST
ΔvapH	55.30	kJ/mol	404.00	NIST

Similar Compounds

Find more compounds similar to 1,2-Ethanediol, dinitrate.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.