Chemical Properties of 1-Butoxycarbonylmethyl-2-butoxydiazen-1-oxide

InChI

InChI=1S/C10H20N2O4/c1-3-5-7-15-10(13)9-12(14)11-16-8-6-4-2/h3-9H2,1-2H3

InChI Key

YUZORQQRUFBLHE-UHFFFAOYSA-N

Formula

C10H20N2O4

SMILES

CCCCON=[N+]([O-])CC(=O)OCCCC

Molecular Weight¹

232.28

• ω : Acentric Factor.
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.8008		Relay (1.0) Calculated Property
ΔfH°gas	-477.86	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	76.34	kJ/mol	Relay (1.0) Calculated Property
IE	9.06	eV	Relay (1.0) Calculated Property
log10WS	-2.73		Relay (1.0) Calculated Property
logPoct/wat	2.024		Crippen Calculated Property
McVol	186.600	ml/mol	McGowan Calculated Property
Pc	2088.28	kPa	Relay (1.0-beta) Calculated Property
Inp	[1664.00; 1664.00]
Inp	1664.00		NIST
Inp	1664.00		NIST
Tboil	532.34	K	Relay (1.0) Calculated Property
Tc	740.20	K	Relay (1.0) Calculated Property
Tfus	235.11	K	Relay (1.0) Calculated Property
Vc	0.706	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Similar Compounds

Find more compounds similar to 1-Butoxycarbonylmethyl-2-butoxydiazen-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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