Chemical Properties of 1-(2-Ethoxycarbonylethyl)-2-methoxydiazen-1-oxide

InChI

InChI=1S/C6H12N2O4/c1-3-12-6(9)4-5-8(10)7-11-2/h3-5H2,1-2H3/b8-7-

InChI Key

XABIZHLHKBMYHC-FPLPWBNLSA-N

Formula

C6H12N2O4

SMILES

CCOC(=O)CC[N+]([O-])=NOC

Molecular Weight¹

176.17

• ω : Acentric Factor.
• Δ_fH°_gas : Enthalpy of formation 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	0.6407		Relay (1.0) Calculated Property
ΔfH°gas	-388.10	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	64.10	kJ/mol	Relay (1.0) Calculated Property
log10WS	-0.79		Relay (1.0) Calculated Property
logPoct/wat	0.464		Crippen Calculated Property
McVol	130.240	ml/mol	McGowan Calculated Property
Pc	2576.59	kPa	Relay (1.0-beta) Calculated Property
Inp	[1246.00; 1246.00]
Inp	1246.00		NIST
Inp	1246.00		NIST
Tboil	492.19	K	Relay (1.0) Calculated Property
Tc	694.93	K	Relay (1.0) Calculated Property
Tfus	283.27	K	Relay (1.0) Calculated Property
Vc	0.486	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.

Similar Compounds

Find more compounds similar to 1-(2-Ethoxycarbonylethyl)-2-methoxydiazen-1-oxide.

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
• McGowan Method
• NIST Webbook

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