Chemical Properties of 3-methyl-2-oxothiacyclobutane

InChI

InChI=1S/C4H6OS/c1-3-2-6-4(3)5/h3H,2H2,1H3

InChI Key

KANHTMXMAWADED-UHFFFAOYSA-N

Formula

C4H6OS

SMILES

CC1CSC1=O

Molecular Weight¹

102.16

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	5.32	kJ/mol	Joback Calculated Property
logPoct/wat	0.896		Crippen Calculated Property
McVol	74.280	ml/mol	McGowan Calculated Property
Inp	[885.00; 885.00]
Inp	885.00		NIST
Inp	885.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[92.91; 232.67]	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			2.14000e+00
Coefficient B			3.71230e-01
Coefficient C			-1.42300e-04
Coefficient D			1.60000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	92.91	J/mol×K	273.00	Calculated Property
Cp,gas	115.73	J/mol×K	353.78	Calculated Property
Cp,gas	136.72	J/mol×K	434.56	Calculated Property
Cp,gas	155.88	J/mol×K	515.33	Calculated Property
Cp,gas	173.21	J/mol×K	596.11	Calculated Property
Cp,gas	188.72	J/mol×K	676.89	Calculated Property
Cp,gas	202.42	J/mol×K	757.67	Calculated Property
Cp,gas	214.30	J/mol×K	838.44	Calculated Property
Cp,gas	224.39	J/mol×K	919.22	Calculated Property
Cp,gas	232.67	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 3-methyl-2-oxothiacyclobutane.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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