Chemical Properties of 2-Isopropylbenzenethiol, S-methyl-

InChI

InChI=1S/C10H14S/c1-8(2)9-6-4-5-7-10(9)11-3/h4-8H,1-3H3

InChI Key

UWRWHOKKUJISAM-UHFFFAOYSA-N

Formula

C10H14S

SMILES

CSc1ccccc1C(C)C

Molecular Weight¹

166.28

• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[310.01; 389.25]	J/mol×K	[528.20; 761.14]
Cp,gas	310.01	J/mol×K	528.20	Joback Calculated Property
Cp,gas	325.47	J/mol×K	567.02	Joback Calculated Property
Cp,gas	339.98	J/mol×K	605.85	Joback Calculated Property
Cp,gas	353.59	J/mol×K	644.67	Joback Calculated Property
Cp,gas	366.32	J/mol×K	683.50	Joback Calculated Property
Cp,gas	378.20	J/mol×K	722.32	Joback Calculated Property
Cp,gas	389.25	J/mol×K	761.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Isopropylbenzenethiol, S-methyl-.

Sources

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

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