Chemical Properties of 1-(1-Methoxycarbonylcyclohexyl)-2-butoxydiazen-1-oxide

InChI

InChI=1S/C12H22N2O4/c1-3-4-10-18-13-14(16)12(11(15)17-2)8-6-5-7-9-12/h3-10H2,1-2H3/b14-13-

InChI Key

BYKXQDPEICYASZ-YPKPFQOOSA-N

Formula

C12H22N2O4

SMILES

CCCCON=[N+]([O-])C1(C(=O)OC)CCCCC1

Molecular Weight¹

258.31

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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	0.6729		Relay (... Calculated Property
ΔfG°	55.46	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-437.92	kJ/mol	Relay (... Calculated Property
ΔvapH°	72.39	kJ/mol	Relay (... Calculated Property
IE	8.89	eV	Relay (... Calculated Property
log10WS	-3.55		Relay (... Calculated Property
logPoct/wat	2.556		Crippen Calculated Property
McVol	203.920	ml/mol	McGowan Calculated Property
Pc	1884.99	kPa	Relay (... Calculated Property ⚠️
Inp	[1797.00; 1797.00]
Inp	1797.00		NIST
Inp	1797.00		NIST
Tboil	563.04	K	Relay (... Calculated Property
Tc	783.22	K	Relay (... Calculated Property
Tfus	308.39	K	Relay (... Calculated Property
Vc	0.704	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 1-(1-Methoxycarbonylcyclohexyl)-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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