Chemical Properties of 4-Isopropylbenzylidene t-butylamine N-oxide (CAS 121678-88-4)

InChI

InChI=1S/C14H21NO/c1-11(2)13-8-6-12(7-9-13)10-15(16)14(3,4)5/h6-11H,1-5H3/b15-10-

InChI Key

NWCMTMPBYSGWMZ-GDNBJRDFSA-N

Formula

C14H21NO

SMILES

CC(C)c1ccc(C=[N+]([O-])C(C)(C)C)cc1

Molecular Weight¹

219.32

CAS

121678-88-4

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_subH° : Enthalpy of sublimation 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°solid	-8357.70 ± 1.80	kJ/mol	NIST
ΔfH°gas	-50.90 ± 4.90	kJ/mol	NIST
ΔfH°solid	-152.70 ± 2.60	kJ/mol	NIST
ΔsubH°	[101.80; 101.80]	kJ/mol
ΔsubH°	101.80 ± 4.10	kJ/mol	NIST
ΔsubH°	101.80 ± 4.10	kJ/mol	NIST
log10WS	-3.98		Crippen Calculated Property
logPoct/wat	3.538		Crippen Calculated Property
McVol	195.910	ml/mol	McGowan Calculated Property

Similar Compounds

Find more compounds similar to 4-Isopropylbenzylidene t-butylamine N-oxide.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.