Chemical Properties of 1-(Benzylthio)acetone (CAS 10230-69-0)

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

CAS

10230-69-0

Other Names

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

• 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).
• 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_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	[327.08; 397.11]	J/mol×K	[577.53; 812.37]
Cp,gas	327.08	J/mol×K	577.53	Joback Calculated Property
Cp,gas	341.04	J/mol×K	616.67	Joback Calculated Property
Cp,gas	354.04	J/mol×K	655.81	Joback Calculated Property
Cp,gas	366.11	J/mol×K	694.95	Joback Calculated Property
Cp,gas	377.28	J/mol×K	734.09	Joback Calculated Property
Cp,gas	387.61	J/mol×K	773.23	Joback Calculated Property
Cp,gas	397.11	J/mol×K	812.37	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-(Benzylthio)acetone.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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