Chemical Properties of 2-Propanone, 1-(ethylthio)-

InChI

InChI=1S/C5H10OS/c1-3-7-4-5(2)6/h3-4H2,1-2H3

InChI Key

ZKDXKBIOEVBFGV-UHFFFAOYSA-N

Formula

C5H10OS

SMILES

CCSCC(C)=O

Molecular Weight¹

118.20

Other Names

• (Ethylthio)acetone
• Ethyl 2-oxopropyl sulfide
• CH3COCH2SCH2CH3
• «alpha»-(Ethylthio)acetone
• Thioethoxy acetone
• 1-(Ethylthio)-2-propanone
• 1-(ethylthio)acetone

• 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).
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[132.98; 292.89]	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			2.53020e+01
Coefficient B			4.45230e-01
Coefficient C			-1.89300e-04
Coefficient D			1.16600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	132.98	J/mol×K	273.00	Calculated Property
Cp,gas	159.64	J/mol×K	353.78	Calculated Property
Cp,gas	183.99	J/mol×K	434.56	Calculated Property
Cp,gas	206.07	J/mol×K	515.33	Calculated Property
Cp,gas	225.91	J/mol×K	596.11	Calculated Property
Cp,gas	243.56	J/mol×K	676.89	Calculated Property
Cp,gas	259.04	J/mol×K	757.67	Calculated Property
Cp,gas	272.40	J/mol×K	838.44	Calculated Property
Cp,gas	283.67	J/mol×K	919.22	Calculated Property
Cp,gas	292.89	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Propanone, 1-(ethylthio)-.

Sources

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

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