Chemical Properties of 1,4-Benzenedithiol, S,S'-dimethyl-

InChI

InChI=1S/C8H10S2/c1-9-7-3-5-8(10-2)6-4-7/h3-6H,1-2H3

InChI Key

CVZBYEKCIDMLRV-UHFFFAOYSA-N

Formula

C8H10S2

SMILES

CSc1ccc(SC)cc1

Molecular Weight¹

170.29

• ω : Acentric Factor.
• 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).
• 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	0.3298		Relay (1.0) Calculated Property
ΔfG°	185.50	kJ/mol	Joback Calculated Property
ΔfH°gas	76.48	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.39	kJ/mol	Joback Calculated Property
ΔvapH°	70.71	kJ/mol	Relay (1.0) Calculated Property
IE	7.81	eV	Relay (1.0) Calculated Property
log10WS	-3.93		Relay (1.0) Calculated Property
logPoct/wat	3.130		Crippen Calculated Property
McVol	132.520	ml/mol	McGowan Calculated Property
Pc	3736.23	kPa	Joback Calculated Property
Inp	[1559.40; 1559.40]
Inp	1559.40		NIST
Inp	1559.40		NIST
Tboil	536.34	K	Relay (1.0) Calculated Property
Tc	724.58	K	Relay (1.0) Calculated Property
Tfus	324.55	K	Relay (1.0) Calculated Property
Vc	0.459	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[269.16; 334.81]	J/mol×K	[551.66; 810.58]
Cp,gas	269.16	J/mol×K	551.66	Joback Calculated Property
Cp,gas	282.32	J/mol×K	594.81	Joback Calculated Property
Cp,gas	294.57	J/mol×K	637.97	Joback Calculated Property
Cp,gas	305.93	J/mol×K	681.12	Joback Calculated Property
Cp,gas	316.41	J/mol×K	724.28	Joback Calculated Property
Cp,gas	326.03	J/mol×K	767.43	Joback Calculated Property
Cp,gas	334.81	J/mol×K	810.58	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,4-Benzenedithiol, S,S'-dimethyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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