Chemical Properties of 1-(3-Methoxycarbonylpropyl)-2-methoxydiazen-1-oxide

InChI

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

InChI Key

VZMGWWIQVDNTAW-UHFFFAOYSA-N

Formula

C6H12N2O4

SMILES

CON=[N+]([O-])CCCC(=O)OC

Molecular Weight¹

176.17

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-377.10	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	66.90	kJ/mol	Relay (1.0) Calculated Property
IE	9.29	eV	Relay (1.0) Calculated Property
log10WS	-0.69		Relay (1.0) Calculated Property
logPoct/wat	0.464		Crippen Calculated Property
McVol	130.240	ml/mol	McGowan Calculated Property
Pc	2701.47	kPa	Relay (1.0-beta) Calculated Property
Inp	[1375.00; 1375.00]
Inp	1375.00		NIST
Inp	1375.00		NIST
Tboil	503.52	K	Relay (1.0) Calculated Property
Tc	702.34	K	Relay (1.0) Calculated Property
Tfus	266.47	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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.

Similar Compounds

Find more compounds similar to 1-(3-Methoxycarbonylpropyl)-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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