Chemical Properties of 2-(mercaptoethyl)tetrahydrothiophene

InChI

InChI=1S/C6H12S2/c7-4-3-6-2-1-5-8-6/h6-7H,1-5H2

InChI Key

OLWFCZMLLCFXBT-UHFFFAOYSA-N

Formula

C6H12S2

SMILES

SCCC1CCCS1

Molecular Weight¹

148.29

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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
ΔfG°	105.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-22.95	kJ/mol	Joback Calculated Property
ΔfusH°	12.93	kJ/mol	Joback Calculated Property
ΔvapH°	41.76	kJ/mol	Joback Calculated Property
log10WS	-2.30		Crippen Calculated Property
logPoct/wat	2.202		Crippen Calculated Property
McVol	117.240	ml/mol	McGowan Calculated Property
Pc	4130.29	kPa	Joback Calculated Property
Inp	[1110.00; 1117.00]
Inp	1117.00		NIST
Inp	1110.00		NIST
Tboil	462.65	K	Joback Calculated Property
Tc	702.26	K	Joback Calculated Property
Tfus	288.19	K	Joback Calculated Property
Vc	0.412	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[229.82; 305.58]	J/mol×K	[462.65; 702.26]
Cp,gas	229.82	J/mol×K	462.65	Joback Calculated Property
Cp,gas	244.69	J/mol×K	502.59	Joback Calculated Property
Cp,gas	258.60	J/mol×K	542.52	Joback Calculated Property
Cp,gas	271.60	J/mol×K	582.46	Joback Calculated Property
Cp,gas	283.74	J/mol×K	622.39	Joback Calculated Property
Cp,gas	295.05	J/mol×K	662.33	Joback Calculated Property
Cp,gas	305.58	J/mol×K	702.26	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-(mercaptoethyl)tetrahydrothiophene.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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