Chemical Properties of 1,3-Oxathiolane, 2-methyl-2-isopropyl- (CAS 16047-98-6)

InChI

InChI=1S/C7H14OS/c1-6(2)7(3)8-4-5-9-7/h6H,4-5H2,1-3H3

InChI Key

RGMFYYDYJLBLOW-UHFFFAOYSA-N

Formula

C7H14OS

SMILES

CC(C)C1(C)OCCS1

Molecular Weight¹

146.25

CAS

16047-98-6

Other Names

• 2-Methyl-2-propan-2-yl-1,3-oxathiolane

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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°	9.64	kJ/mol	Joback Calculated Property
ΔvapH°	49.21	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.122		Crippen Calculated Property
McVol	120.850	ml/mol	McGowan Calculated Property
Inp	[1015.00; 1015.00]
Inp	1015.00		NIST
Inp	1015.00		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, 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	[252.38; 331.28]	J/mol×K	[449.42; 674.46]
Cp,gas	252.38	J/mol×K	449.42	Joback Calculated Property
Cp,gas	268.10	J/mol×K	486.93	Joback Calculated Property
Cp,gas	282.63	J/mol×K	524.43	Joback Calculated Property
Cp,gas	296.07	J/mol×K	561.94	Joback Calculated Property
Cp,gas	308.58	J/mol×K	599.45	Joback Calculated Property
Cp,gas	320.27	J/mol×K	636.95	Joback Calculated Property
Cp,gas	331.28	J/mol×K	674.46	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Oxathiolane, 2-methyl-2-isopropyl-.

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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