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

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• Δ_fG° : Standard Gibbs free energy of formation (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).
• 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).
• 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	0.4648		Relay (1.0) Calculated Property
ΔcH°solid	-8357.70 ± 1.80	kJ/mol	NIST
ΔfG°	294.82	kJ/mol	Relay (1.0-beta) Calculated Property
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
ΔvapH°	68.33	kJ/mol	Relay (1.0) Calculated Property
IE	7.51	eV	Relay (1.0) Calculated Property
log10WS	-4.43		Relay (1.0) Calculated Property
logPoct/wat	3.538		Crippen Calculated Property
McVol	195.910	ml/mol	McGowan Calculated Property
Pc	2004.14	kPa	Relay (1.0-beta) Calculated Property
Tboil	548.48	K	Relay (1.0) Calculated Property
Tc	775.86	K	Relay (1.0) Calculated Property
Tfus	364.06	K	Relay (1.0) Calculated Property
Vc	0.687	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

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