Chemical Properties of 2-Isobutyl-1,3-dithiolane

InChI

InChI=1S/C7H14S2/c1-6(2)5-7-8-3-4-9-7/h6-7H,3-5H2,1-2H3

InChI Key

BZZWMYQPYPQYLG-UHFFFAOYSA-N

Formula

C7H14S2

SMILES

CC(C)CC1SCCS1

Molecular Weight¹

162.32

• 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°	11.61	kJ/mol	Joback Calculated Property
logPoct/wat	2.839		Crippen Calculated Property
McVol	131.330	ml/mol	McGowan Calculated Property
Inp	[1235.00; 1303.00]
Inp	1243.00		NIST
Inp	1256.00		NIST
Inp	1280.00		NIST
Inp	1303.00		NIST
Inp	1235.00		NIST
Inp	1289.00		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	[267.99; 350.00]	J/mol×K	[470.06; 701.46]
Cp,gas	267.99	J/mol×K	470.06	Joback Calculated Property
Cp,gas	283.95	J/mol×K	508.63	Joback Calculated Property
Cp,gas	298.94	J/mol×K	547.19	Joback Calculated Property
Cp,gas	312.99	J/mol×K	585.76	Joback Calculated Property
Cp,gas	326.16	J/mol×K	624.33	Joback Calculated Property
Cp,gas	338.48	J/mol×K	662.89	Joback Calculated Property
Cp,gas	350.00	J/mol×K	701.46	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Isobutyl-1,3-dithiolane.

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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