Chemical Properties of 2-Methyl-1,3-oxathiolane (CAS 17642-74-9)

InChI

InChI=1S/C4H8OS/c1-4-5-2-3-6-4/h4H,2-3H2,1H3

InChI Key

QNNPPEKCYFEVCF-UHFFFAOYSA-N

Formula

C4H8OS

SMILES

CC1OCCS1

Molecular Weight¹

104.17

CAS

17642-74-9

Other Names

• 1,3-Oxathiolane, 2-methyl-
• 2-Methyl-1,3-oxothiolane

• 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°	11.69	kJ/mol	Joback Calculated Property
logPoct/wat	1.096		Crippen Calculated Property
McVol	78.580	ml/mol	McGowan Calculated Property
Inp	[807.00; 861.00]
Inp	822.00		NIST
Inp	829.00		NIST
Inp	848.00		NIST
Inp	861.00		NIST
Inp	822.00		NIST
Inp	830.00		NIST
Inp	807.00		NIST
Inp	834.00		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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[135.61; 192.86]	J/mol×K	[381.18; 598.77]
Cp,gas	135.61	J/mol×K	381.18	Joback Calculated Property
Cp,gas	146.59	J/mol×K	417.44	Joback Calculated Property
Cp,gas	156.97	J/mol×K	453.71	Joback Calculated Property
Cp,gas	166.77	J/mol×K	489.97	Joback Calculated Property
Cp,gas	176.00	J/mol×K	526.24	Joback Calculated Property
Cp,gas	184.69	J/mol×K	562.50	Joback Calculated Property
Cp,gas	192.86	J/mol×K	598.77	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Methyl-1,3-oxathiolane.

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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