Chemical Properties of Phenol, 3,5-dimethyl-4-(methylthio)-

InChI

InChI=1S/C9H12OS/c1-6-4-8(10)5-7(2)9(6)11-3/h4-5,10H,1-3H3

InChI Key

JGFZITGNFAVSKU-UHFFFAOYSA-N

Formula

C9H12OS

SMILES

CSc1c(C)cc(O)cc1C

Molecular Weight¹

168.26

Other Names

• 4-(methylthio)-3,5-xylenol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[181.64; 408.05]	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			8.00000e-02
Coefficient B			8.09950e-01
Coefficient C			-5.79080e-04
Coefficient D			1.77100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	181.64	J/mol×K	273.00	Calculated Property
Cp,gas	221.99	J/mol×K	353.78	Calculated Property
Cp,gas	257.23	J/mol×K	434.56	Calculated Property
Cp,gas	287.93	J/mol×K	515.33	Calculated Property
Cp,gas	314.64	J/mol×K	596.11	Calculated Property
Cp,gas	337.93	J/mol×K	676.89	Calculated Property
Cp,gas	358.35	J/mol×K	757.67	Calculated Property
Cp,gas	376.48	J/mol×K	838.44	Calculated Property
Cp,gas	392.86	J/mol×K	919.22	Calculated Property
Cp,gas	408.05	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Phenol, 3,5-dimethyl-4-(methylthio)-.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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