Chemical Properties of 3,5-Dimethylthiophenol, S-acetyl-

InChI

InChI=1S/C10H12OS/c1-7-4-8(2)6-10(5-7)12-9(3)11/h4-6H,1-3H3

InChI Key

AEYWKWUCVYDERD-UHFFFAOYSA-N

Formula

C10H12OS

SMILES

CC(=O)Sc1cc(C)cc(C)c1

Molecular Weight¹

180.27

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[186.89; 426.24]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.54500e+01
Coefficient B			7.22350e-01
Coefficient C			-3.58420e-04
Coefficient D			4.68600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	186.89	J/mol×K	273.00	Calculated Property
Cp,gas	228.22	J/mol×K	353.78	Calculated Property
Cp,gas	265.51	J/mol×K	434.56	Calculated Property
Cp,gas	298.93	J/mol×K	515.33	Calculated Property
Cp,gas	328.61	J/mol×K	596.11	Calculated Property
Cp,gas	354.71	J/mol×K	676.89	Calculated Property
Cp,gas	377.38	J/mol×K	757.67	Calculated Property
Cp,gas	396.76	J/mol×K	838.44	Calculated Property
Cp,gas	412.99	J/mol×K	919.22	Calculated Property
Cp,gas	426.24	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 3,5-Dimethylthiophenol, S-acetyl-.

Sources

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

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