Chemical Properties of 4,5-dimethyl-1,3-dithiolane

InChI

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

InChI Key

VDKQRNZRLREXBM-UHFFFAOYSA-N

Formula

C5H10S2

SMILES

CC1SCSC1C

Molecular Weight¹

134.26

Other Names

• 4,5-Dimethyl-1,3-dithiolan

• ω : Acentric Factor.
• 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).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2380		Relay (1.0) Calculated Property
ΔfH°gas	-51.98	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.03	kJ/mol	Joback Calculated Property
ΔvapH°	55.43	kJ/mol	Relay (1.0) Calculated Property
IE	8.38	eV	Relay (1.0) Calculated Property
logPoct/wat	2.201		Crippen Calculated Property
McVol	103.150	ml/mol	McGowan Calculated Property
Pc	4093.38	kPa	Joback Calculated Property
Inp	[1090.00; 1090.00]
Inp	1090.00		NIST
Inp	1090.00		NIST
Inp	1090.00		NIST
Tboil	463.86	K	Relay (1.0) Calculated Property
Tc	678.28	K	Relay (1.0) Calculated Property
Tfus	296.76	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, 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 4,5-dimethyl-1,3-dithiolane.

Sources

• Cheméo Relay (1.0)
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.