Chemical Properties of 2-(Methylthio)methylpyridine

InChI

InChI=1S/C7H9NS/c1-9-6-7-4-2-3-5-8-7/h2-5H,6H2,1H3

InChI Key

KWXDPVBKJYKQIM-UHFFFAOYSA-N

Formula

C7H9NS

SMILES

CSCc1ccccn1

Molecular Weight¹

139.22

• 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 : 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	0.3430		Relay (1.0) Calculated Property
ΔfG°	183.18	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	115.11	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	57.65	kJ/mol	Relay (1.0) Calculated Property
IE	8.67	eV	Relay (1.0) Calculated Property
log10WS	0.33		Relay (1.0) Calculated Property
logPoct/wat	1.945		Crippen Calculated Property
McVol	112.060	ml/mol	McGowan Calculated Property
Pc	4018.86	kPa	Relay (1.0-beta) Calculated Property
I	[1990.00; 1990.00]
I	1990.00		NIST
I	1990.00		NIST
Tboil	493.84	K	Relay (1.0) Calculated Property
Tc	728.59	K	Relay (1.0) Calculated Property
Tfus	251.49	K	Relay (1.0) Calculated Property
Vc	0.391	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2-(Methylthio)methylpyridine.

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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