Chemical Properties of TEGDN

InChI

InChI=1S/C6H12N2O8/c9-7(10)15-5-3-13-1-2-14-4-6-16-8(11)12/h1-6H2

InChI Key

AGCQZYRSTIRJFM-UHFFFAOYSA-N

Formula

C6H12N2O8

SMILES

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

Molecular Weight¹

240.17

Other Names

• 2,2'-[ethane-1,2-diylbis(oxy)]bisethyl dinitrate
• Ethanol, 2,2'-[1,2-ethanediylbis(oxy)]bis-, 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°_solid : Solid 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).
• 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	[-3500.40; -3440.00]	kJ/mol
ΔcH°liquid	-3440.00	kJ/mol	NIST
ΔcH°liquid	-3500.40	kJ/mol	NIST
ΔfH°gas	-549.72	kJ/mol	Relay (1.0) Calculated Property
ΔfH°solid	[-656.90; -603.80]	kJ/mol
ΔfH°solid	-656.90	kJ/mol	NIST
ΔfH°solid	-603.80	kJ/mol	NIST
ΔfusH°	38.77	kJ/mol	Joback Calculated Property
ΔvapH°	88.40 ± 0.10	kJ/mol	NIST
IE	10.71	eV	Relay (1.0) Calculated Property
log10WS	-1.23		Relay (1.0) Calculated Property
logPoct/wat	-0.564		Crippen Calculated Property
McVol	153.720	ml/mol	McGowan Calculated Property
Inp	[1595.00; 1595.00]
Inp	1595.00		NIST
Inp	1595.00		NIST
Tboil	532.89	K	Relay (1.0) Calculated Property
Tfus	261.70	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	[435.17; 487.40]	J/mol×K	[730.04; 947.12]
Cp,gas	435.17	J/mol×K	730.04	Joback Calculated Property
Cp,gas	445.88	J/mol×K	766.22	Joback Calculated Property
Cp,gas	455.84	J/mol×K	802.40	Joback Calculated Property
Cp,gas	465.00	J/mol×K	838.58	Joback Calculated Property
Cp,gas	473.34	J/mol×K	874.76	Joback Calculated Property
Cp,gas	480.82	J/mol×K	910.94	Joback Calculated Property
Cp,gas	487.40	J/mol×K	947.12	Joback Calculated Property
ΔvapH	88.30	kJ/mol	325.50	NIST

Similar Compounds

Find more compounds similar to TEGDN.

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.
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