Chemical Properties of Aziridine, 1-methoxy-2,2,3-trimethyl, anty

InChI

InChI=1S/C6H13NO/c1-5-6(2,3)7(5)8-4/h5H,1-4H3/t5-,7+/m0/s1

InChI Key

VNGCQFBBUOYGPX-CAHLUQPWSA-N

Formula

C6H13NO

SMILES

CON1C(C)C1(C)C

Molecular Weight¹

115.17

• 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	0.3381		Relay (1.0) Calculated Property
ΔfG°	47.79	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-72.79	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	35.88	kJ/mol	Relay (1.0) Calculated Property
IE	8.54	eV	Relay (1.0) Calculated Property
log10WS	-0.54		Relay (1.0) Calculated Property
logPoct/wat	1.030		Crippen Calculated Property
McVol	100.390	ml/mol	McGowan Calculated Property
Pc	3250.96	kPa	Relay (1.0-beta) Calculated Property
Inp	[744.00; 744.00]
Inp	744.00		NIST
Inp	744.00		NIST
Tboil	372.26	K	Relay (1.0) Calculated Property
Tc	568.33	K	Relay (1.0) Calculated Property
Tfus	198.33	K	Relay (1.0) Calculated Property
Vc	0.357	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Aziridine, 1-methoxy-2,2,3-trimethyl, anty.

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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