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

• 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).
• 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

Property	Value	Unit	Source
ω	0.2959		Relay (... Calculated Property
ΔfG°	-9.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-236.88	kJ/mol	Relay (... Calculated Property
ΔfusH°	9.64	kJ/mol	Joback Calculated Property
ΔvapH°	47.21	kJ/mol	Relay (... Calculated Property
IE	8.49	eV	Relay (... Calculated Property
log10WS	-1.78		Relay (... Calculated Property
logPoct/wat	2.122		Crippen Calculated Property
McVol	120.850	ml/mol	McGowan Calculated Property
Pc	3577.07	kPa	Joback Calculated Property
Inp	[1015.00; 1015.00]
Inp	1015.00		NIST
Inp	1015.00		NIST
Tboil	441.04	K	Relay (... Calculated Property
Tc	654.66	K	Relay (... Calculated Property
Tfus	223.18	K	Relay (... Calculated Property
Vc	0.419	m3/kmol	Relay (... Calculated Property

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)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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