Chemical Properties of Selenomethionine, N-(dimethylamino)methylene, O-butyl

InChI

InChI=1S/C12H24N2O2Se/c1-5-6-8-16-12(15)11(7-9-17-4)13-10-14(2)3/h10-11H,5-9H2,1-4H3

InChI Key

OHOLXAYVSBJSLF-UHFFFAOYSA-N

Formula

C12H24N2O2Se

SMILES

CCCCOC(=O)C(CC[Se]C)N=CN(C)C

Molecular Weight¹

307.29

Other Names

• (S,E)-Butyl 2-((dimethylamino)methyleneamino)-4-(methylselanyl)butanoate

• 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.
• 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	0.6850		Relay (1.0) Calculated Property
ΔfG°	-56.47	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-423.44	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	75.37	kJ/mol	Relay (1.0) Calculated Property
IE	7.36	eV	Relay (1.0) Calculated Property
log10WS	-1.38		Relay (1.0) Calculated Property
logPoct/wat	1.849		Crippen Calculated Property
Pc	1894.78	kPa	Relay (1.0-beta) Calculated Property
Inp	[1949.00; 1949.00]
Inp	1949.00		NIST
Inp	1949.00		NIST
Tboil	583.10	K	Relay (1.0) Calculated Property
Tc	782.07	K	Relay (1.0) Calculated Property
Tfus	265.14	K	Relay (1.0) Calculated Property
Vc	0.782	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Selenomethionine, N-(dimethylamino)methylene, O-butyl.

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
• NIST Webbook

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