Chemical Properties of bis(1-methyl-2-oxopropyl) sulfide

InChI

InChI=1S/C8H14O2S/c1-5(9)7(3)11-8(4)6(2)10/h7-8H,1-4H3

InChI Key

YGVGCMGLHWUOCP-UHFFFAOYSA-N

Formula

C8H14O2S

SMILES

CC(=O)C(C)SC(C)C(C)=O

Molecular Weight¹

174.27

• ω : Acentric Factor.
• 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).
• 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

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[196.92; 437.76]	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			2.65700e+01
Coefficient B			7.14070e-01
Coefficient C			-3.40200e-04
Coefficient D			3.73200e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	196.92	J/mol×K	273.00	Calculated Property
Cp,gas	238.27	J/mol×K	353.78	Calculated Property
Cp,gas	275.69	J/mol×K	434.56	Calculated Property
Cp,gas	309.32	J/mol×K	515.33	Calculated Property
Cp,gas	339.25	J/mol×K	596.11	Calculated Property
Cp,gas	365.62	J/mol×K	676.89	Calculated Property
Cp,gas	388.53	J/mol×K	757.67	Calculated Property
Cp,gas	408.12	J/mol×K	838.44	Calculated Property
Cp,gas	424.49	J/mol×K	919.22	Calculated Property
Cp,gas	437.76	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to bis(1-methyl-2-oxopropyl) sulfide.

Sources

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

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