Chemical Properties of 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

InChI Key

DYTKSLFUSUKZJN-UHFFFAOYSA-N

Formula

C5H8OS2

SMILES

CC1SSC(C)C1=O

Molecular Weight¹

148.25

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.3039		Relay (... Calculated Property
ΔfG°	-22.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-183.94	kJ/mol	Relay (... Calculated Property
ΔfusH°	10.54	kJ/mol	Joback Calculated Property
ΔvapH°	59.21	kJ/mol	Relay (... Calculated Property
IE	8.52	eV	Relay (... Calculated Property
log10WS	-0.74		Relay (... 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	[1098.00; 1134.00]
Inp	1115.00		NIST
Inp	1124.00		NIST
Inp	1098.00		NIST
Inp	1098.00		NIST
Inp	1111.00		NIST
Inp	1124.00		NIST
Inp	1134.00		NIST
Inp	1115.00		NIST
I	[1568.00; 1597.00]
I	1568.00		NIST
I	1597.00		NIST
I	1568.00		NIST
Tboil	478.87	K	Relay (... Calculated Property
Tc	710.94	K	Relay (... Calculated Property
Tfus	389.92	K	Relay (... Calculated Property
Vc	0.348	m3/kmol	Relay (... 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 3,5-dimethyl-1,2-dithiolan-4-one.

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.