Chemical Properties of 1-(1-Isopropoxycarbonylethyl)-2-isopropoxydiazen-1-oxide

InChI

InChI=1S/C9H18N2O4/c1-6(2)14-9(12)8(5)11(13)10-15-7(3)4/h6-8H,1-5H3/b11-10-

InChI Key

JEWCOMLIOHMONS-KHPPLWFESA-N

Formula

C9H18N2O4

SMILES

CC(C)ON=[N+]([O-])C(C)C(=O)OC(C)C

Molecular Weight¹

218.25

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
logPoct/wat	1.629		Crippen Calculated Property
McVol	172.510	ml/mol	McGowan Calculated Property
Inp	[1378.00; 1378.00]
Inp	1378.00		NIST
Inp	1378.00		NIST
Tboil	476.29	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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-(1-Isopropoxycarbonylethyl)-2-isopropoxydiazen-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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