Chemical Properties of trans -3,5-dimethyl-1,2-dithiolan-4-one

InChI

InChI=1S/C5H8OS2/c1-3-5(6)4(2)8-7-3/h3-4H,1-2H3/t3-,4-/m0/s1

InChI Key

DYTKSLFUSUKZJN-IMJSIDKUSA-N

Formula

C5H8OS2

SMILES

CC1SSC(C)C1=O

Molecular Weight¹

148.25

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-22.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-153.57	kJ/mol	Joback Calculated Property
ΔfusH°	10.54	kJ/mol	Joback Calculated Property
ΔvapH°	42.54	kJ/mol	Joback Calculated Property
log10WS	-2.07		Crippen Calculated Property
logPoct/wat	1.728		Crippen Calculated Property
McVol	104.720	ml/mol	McGowan Calculated Property
Pc	4283.05	kPa	Joback Calculated Property
Inp	1094.00		NIST
I	[1598.00; 1605.00]
I	1598.00		NIST
I	1605.00		NIST
Tboil	487.89	K	Joback Calculated Property
Tc	740.75	K	Joback Calculated Property
Tfus	387.89	K	Joback Calculated Property
Vc	0.354	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[209.57; 276.29]	J/mol×K	[487.89; 740.75]
Cp,gas	209.57	J/mol×K	487.89	Joback Calculated Property
Cp,gas	222.26	J/mol×K	530.03	Joback Calculated Property
Cp,gas	234.34	J/mol×K	572.18	Joback Calculated Property
Cp,gas	245.80	J/mol×K	614.32	Joback Calculated Property
Cp,gas	256.62	J/mol×K	656.47	Joback Calculated Property
Cp,gas	266.79	J/mol×K	698.61	Joback Calculated Property
Cp,gas	276.29	J/mol×K	740.75	Joback Calculated Property

Similar Compounds

Find more compounds similar to trans -3,5-dimethyl-1,2-dithiolan-4-one.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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