Chemical Properties of 2,4-Dimethyl-1,3-dithiolane

InChI

InChI=1S/C5H10S2/c1-4-3-6-5(2)7-4/h4-5H,3H2,1-2H3

InChI Key

FSCICYWMDXUMTJ-UHFFFAOYSA-N

Formula

C5H10S2

SMILES

CC1CSC(C)S1

Molecular Weight¹

134.27

Other Names

• 2,4-Dimethyl-1,3-dithiolan

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-46.60	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.03	kJ/mol	Joback Calculated Property
IE	8.39	eV	Relay (1.0) Calculated Property
logPoct/wat	2.201		Crippen Calculated Property
McVol	103.150	ml/mol	McGowan Calculated Property
Inp	[1012.00; 1078.00]
Inp	1032.00		NIST
Inp	1044.00		NIST
Inp	1060.00		NIST
Inp	1078.00		NIST
Inp	1032.00		NIST
Inp	1060.00		NIST
Inp	1012.00		NIST
Inp	1050.00		NIST
Inp	1032.00		NIST
Inp	1012.00		NIST
Inp	1032.00		NIST
Inp	1060.00		NIST
Tboil	449.61	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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	[187.50; 256.56]	J/mol×K	[420.07; 652.62]
Cp,gas	187.50	J/mol×K	420.07	Joback Calculated Property
Cp,gas	200.81	J/mol×K	458.83	Joback Calculated Property
Cp,gas	213.36	J/mol×K	497.59	Joback Calculated Property
Cp,gas	225.19	J/mol×K	536.35	Joback Calculated Property
Cp,gas	236.31	J/mol×K	575.10	Joback Calculated Property
Cp,gas	246.76	J/mol×K	613.86	Joback Calculated Property
Cp,gas	256.56	J/mol×K	652.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,4-Dimethyl-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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