Chemical Properties of 2-thienylethylthiomethane

InChI

InChI=1S/C7H10S2/c1-2-8-6-7-4-3-5-9-7/h3-5H,2,6H2,1H3

InChI Key

AFCJCLDOMXGCMV-UHFFFAOYSA-N

Formula

C7H10S2

SMILES

CCSCc1cccs1

Molecular Weight¹

158.28

• 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	0.3061		Relay (1.0) Calculated Property
ΔfG°	122.21	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	68.11	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	55.81	kJ/mol	Relay (1.0) Calculated Property
IE	8.16	eV	Relay (1.0) Calculated Property
log10WS	-2.36		Relay (1.0) Calculated Property
logPoct/wat	3.001		Crippen Calculated Property
McVol	122.730	ml/mol	McGowan Calculated Property
Pc	3140.55	kPa	Relay (1.0-beta) Calculated Property
Inp	[1251.00; 1251.00]
Inp	1251.00		NIST
Inp	1251.00		NIST
Tboil	493.88	K	Relay (1.0) Calculated Property
Tc	703.06	K	Relay (1.0) Calculated Property
Tfus	230.62	K	Relay (1.0) Calculated Property
Vc	0.425	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 2-thienylethylthiomethane.

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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