Chemical Properties of 2-Propanamine, 2-methyl-N-(phenylmethylene)-, N-oxide (CAS 3376-24-7)

InChI

InChI=1S/C11H15NO/c1-11(2,3)12(13)9-10-7-5-4-6-8-10/h4-9H,1-3H3

InChI Key

IYSYLWYGCWTJSG-UHFFFAOYSA-N

Formula

C11H15NO

SMILES

CC(C)(C)[N+]([O-])=Cc1ccccc1

Molecular Weight¹

177.24

CAS

3376-24-7

Other Names

• N-tert-Butyl-«alpha»-phenylnitrone
• N-t-Butyl-«alpha»-phenylnitrone
• Phenyl N-tert-butylnitrone
• N-benzyliden-tert-butylamine N-ether

• 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	0.3698		Relay (1.0) Calculated Property
ΔcH°solid	-6416.40 ± 1.10	kJ/mol	NIST
ΔfG°	296.23	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	30.90 ± 2.00	kJ/mol	NIST
ΔfH°solid	-55.90 ± 1.80	kJ/mol	NIST
ΔsubH°	[86.80; 86.80]	kJ/mol
ΔsubH°	86.80 ± 0.90	kJ/mol	NIST
ΔsubH°	86.80 ± 0.90	kJ/mol	NIST
ΔvapH°	58.68	kJ/mol	Relay (1.0) Calculated Property
IE	7.69	eV	NIST
log10WS	-2.88		Relay (1.0) Calculated Property
logPoct/wat	2.414		Crippen Calculated Property
McVol	153.640	ml/mol	McGowan Calculated Property
Pc	2595.63	kPa	Relay (1.0-beta) Calculated Property
Tboil	515.67	K	Relay (1.0) Calculated Property
Tc	742.15	K	Relay (1.0) Calculated Property
Tfus	346.16	K	Relay (1.0) Calculated Property
Vc	0.527	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2-Propanamine, 2-methyl-N-(phenylmethylene)-, 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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