Chemical Properties of 1-(Benzylthio)-2-propanone

InChI

InChI=1S/C10H12OS/c1-9(11)7-12-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3

InChI Key

OIEDQMIEPJIRFT-UHFFFAOYSA-N

Formula

C10H12OS

SMILES

CC(=O)CSCc1ccccc1

Molecular Weight¹

180.27

Other Names

• «alpha»-(Benzylthio)acetone
• (Benzylthio)acetone
• 2-Propanone, 1-[(phenylmethyl)thio]-

• 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).
• T_boil : Normal Boiling Point 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 Temperature, 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	[181.79; 432.32]	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			-1.31480e+01
Coefficient B			8.41310e-01
Coefficient C			-4.92500e-04
Coefficient D			9.66600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	181.79	J/mol×K	273.00	Calculated Property
Cp,gas	227.13	J/mol×K	353.78	Calculated Property
Cp,gas	267.38	J/mol×K	434.56	Calculated Property
Cp,gas	302.84	J/mol×K	515.33	Calculated Property
Cp,gas	333.83	J/mol×K	596.11	Calculated Property
Cp,gas	360.65	J/mol×K	676.89	Calculated Property
Cp,gas	383.60	J/mol×K	757.67	Calculated Property
Cp,gas	402.99	J/mol×K	838.44	Calculated Property
Cp,gas	419.13	J/mol×K	919.22	Calculated Property
Cp,gas	432.32	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1-(Benzylthio)-2-propanone.

Sources

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

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