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

InChI

InChI=1S/C10H10O2S2/c1-7(11)13-9-3-5-10(6-4-9)14-8(2)12/h3-6H,1-2H3

InChI Key

AVJCQGOIQVKBMW-UHFFFAOYSA-N

Formula

C10H10O2S2

SMILES

CC(=O)Sc1ccc(SC(C)=O)cc1

Molecular Weight¹

226.31

• 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°	-55.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-166.09	kJ/mol	Joback Calculated Property
ΔfusH°	26.77	kJ/mol	Joback Calculated Property
ΔvapH°	67.92	kJ/mol	Joback Calculated Property
log10WS	-3.35		Crippen Calculated Property
logPoct/wat	2.964		Crippen Calculated Property
McVol	163.840	ml/mol	McGowan Calculated Property
Pc	3452.08	kPa	Joback Calculated Property
Inp	[1869.40; 1869.40]
Inp	1869.40		NIST
Inp	1869.40		NIST
Tboil	705.16	K	Joback Calculated Property
Tc	964.78	K	Joback Calculated Property
Tfus	410.06	K	Joback Calculated Property
Vc	0.608	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[385.77; 440.32]	J/mol×K	[705.16; 964.78]
Cp,gas	385.77	J/mol×K	705.16	Joback Calculated Property
Cp,gas	397.50	J/mol×K	748.43	Joback Calculated Property
Cp,gas	408.15	J/mol×K	791.70	Joback Calculated Property
Cp,gas	417.74	J/mol×K	834.97	Joback Calculated Property
Cp,gas	426.29	J/mol×K	878.24	Joback Calculated Property
Cp,gas	433.81	J/mol×K	921.51	Joback Calculated Property
Cp,gas	440.32	J/mol×K	964.78	Joback Calculated Property

Similar Compounds

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

Sources

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

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