Chemical Properties of 2-Isopropylbenzenethiol, S-acetyl-

InChI

InChI=1S/C11H14OS/c1-8(2)10-6-4-5-7-11(10)13-9(3)12/h4-8H,1-3H3

InChI Key

MJJNVMKMEPMOKV-UHFFFAOYSA-N

Formula

C11H14OS

SMILES

CC(=O)Sc1ccccc1C(C)C

Molecular Weight¹

194.29

• 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	[374.21; 448.81]	J/mol×K	[604.95; 841.20]
Cp,gas	374.21	J/mol×K	604.95	Joback Calculated Property
Cp,gas	389.04	J/mol×K	644.33	Joback Calculated Property
Cp,gas	402.87	J/mol×K	683.70	Joback Calculated Property
Cp,gas	415.73	J/mol×K	723.08	Joback Calculated Property
Cp,gas	427.66	J/mol×K	762.45	Joback Calculated Property
Cp,gas	438.67	J/mol×K	801.83	Joback Calculated Property
Cp,gas	448.81	J/mol×K	841.20	Joback Calculated Property

Similar Compounds

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

Sources

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

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