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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[129.67; 319.90]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.25600e+01
Coefficient B			6.12860e-01
Coefficient C			-3.57600e-04
Coefficient D			7.72000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	129.67	J/mol×K	273.00	Calculated Property
Cp,gas	162.92	J/mol×K	353.78	Calculated Property
Cp,gas	192.57	J/mol×K	434.56	Calculated Property
Cp,gas	218.87	J/mol×K	515.33	Calculated Property
Cp,gas	242.05	J/mol×K	596.11	Calculated Property
Cp,gas	262.38	J/mol×K	676.89	Calculated Property
Cp,gas	280.08	J/mol×K	757.67	Calculated Property
Cp,gas	295.40	J/mol×K	838.44	Calculated Property
Cp,gas	308.60	J/mol×K	919.22	Calculated Property
Cp,gas	319.90	J/mol×K	1000.00	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

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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