Chemical Properties of 1,4-Benzenedimethanethiol, S-acetyl-

InChI

InChI=1S/C10H12OS2/c1-8(11)13-7-10-4-2-9(6-12)3-5-10/h2-5,12H,6-7H2,1H3

InChI Key

BRLBTQKTNBDHGL-UHFFFAOYSA-N

Formula

C10H12OS2

SMILES

CC(=O)SCc1ccc(CS)cc1

Molecular Weight¹

212.33

• 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°	69.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-56.90	kJ/mol	Joback Calculated Property
ΔfusH°	25.08	kJ/mol	Joback Calculated Property
ΔvapH°	61.09	kJ/mol	Joback Calculated Property
log10WS	-3.80		Crippen Calculated Property
logPoct/wat	2.896		Crippen Calculated Property
McVol	162.270	ml/mol	McGowan Calculated Property
Pc	3388.08	kPa	Joback Calculated Property
Inp	[1841.80; 1841.80]
Inp	1841.80		NIST
Inp	1841.80		NIST
Tboil	645.37	K	Joback Calculated Property
Tc	900.32	K	Joback Calculated Property
Tfus	362.19	K	Joback Calculated Property
Vc	0.602	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[372.48; 437.93]	J/mol×K	[645.37; 900.32]
Cp,gas	372.48	J/mol×K	645.37	Joback Calculated Property
Cp,gas	385.87	J/mol×K	687.86	Joback Calculated Property
Cp,gas	398.22	J/mol×K	730.35	Joback Calculated Property
Cp,gas	409.57	J/mol×K	772.84	Joback Calculated Property
Cp,gas	419.94	J/mol×K	815.34	Joback Calculated Property
Cp,gas	429.39	J/mol×K	857.83	Joback Calculated Property
Cp,gas	437.93	J/mol×K	900.32	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,4-Benzenedimethanethiol, S-acetyl-.

Sources

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

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