Chemical Properties of Thiirane, (methoxymethyl)-

InChI

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

InChI Key

SVUNGRWSYPGFNP-UHFFFAOYSA-N

Formula

C4H8OS

SMILES

COCC1CS1

Molecular Weight¹

104.17

Other Names

• 2,3-Epithiopropyl methyl ether
• Ether, 2,3-epithiopropyl methyl
• (Methoxymethyl)thiirane
• 2-(Methoxymethyl)thiirane
• Thiirane, 2-(methoxymethyl)-
• 2,3-Epithiopropyl methoxy ether

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	9.10	kJ/mol	Joback Calculated Property
IE	[8.40; 8.82]	eV
IE	8.40	eV	NIST
IE	8.82	eV	NIST
IE	8.77	eV	NIST
logPoct/wat	0.748		Crippen Calculated Property
McVol	78.580	ml/mol	McGowan Calculated Property

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, 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	[136.09; 184.67]	J/mol×K	[368.11; 566.45]
Cp,gas	136.09	J/mol×K	368.11	Joback Calculated Property
Cp,gas	145.29	J/mol×K	401.17	Joback Calculated Property
Cp,gas	154.02	J/mol×K	434.22	Joback Calculated Property
Cp,gas	162.31	J/mol×K	467.28	Joback Calculated Property
Cp,gas	170.16	J/mol×K	500.34	Joback Calculated Property
Cp,gas	177.61	J/mol×K	533.39	Joback Calculated Property
Cp,gas	184.67	J/mol×K	566.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to Thiirane, (methoxymethyl)-.

Sources

• 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

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