Chemical Properties of 2-Mercapto-3,4-dimethyl-2,3-dihydrothiophene

InChI

InChI=1S/C6H10S2/c1-4-3-8-6(7)5(4)2/h3,5-7H,1-2H3

InChI Key

VNWDIRWAEAIXKU-UHFFFAOYSA-N

Formula

C6H10S2

SMILES

CC1=CSC(S)C1C

Molecular Weight¹

146.27

• 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°	118.06	kJ/mol	Joback Calculated Property
ΔfH°gas	3.02	kJ/mol	Joback Calculated Property
ΔfusH°	14.83	kJ/mol	Joback Calculated Property
ΔvapH°	42.40	kJ/mol	Joback Calculated Property
log10WS	-2.90		Crippen Calculated Property
logPoct/wat	2.529		Crippen Calculated Property
McVol	112.940	ml/mol	McGowan Calculated Property
Pc	4067.32	kPa	Joback Calculated Property
Inp	[1149.00; 1155.00]
Inp	1149.00		NIST
Inp	1155.00		NIST
Inp	1149.00		NIST
Tboil	462.12	K	Joback Calculated Property
Tc	705.66	K	Joback Calculated Property
Tfus	297.23	K	Joback Calculated Property
Vc	0.398	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[216.07; 284.41]	J/mol×K	[462.12; 705.66]
Cp,gas	216.07	J/mol×K	462.12	Joback Calculated Property
Cp,gas	229.33	J/mol×K	502.71	Joback Calculated Property
Cp,gas	241.81	J/mol×K	543.30	Joback Calculated Property
Cp,gas	253.53	J/mol×K	583.89	Joback Calculated Property
Cp,gas	264.52	J/mol×K	624.48	Joback Calculated Property
Cp,gas	274.80	J/mol×K	665.07	Joback Calculated Property
Cp,gas	284.41	J/mol×K	705.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Mercapto-3,4-dimethyl-2,3-dihydrothiophene.

Sources

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

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