Chemical Properties of cis-3-ethyl-5-methyl-1,2-dithiolan-4-one

InChI

InChI=1S/C6H10OS2/c1-3-5-6(7)4(2)8-9-5/h4-5H,3H2,1-2H3

InChI Key

MMXLOINISPYVFC-UHFFFAOYSA-N

Formula

C6H10OS2

SMILES

CCC1SSC(C)C1=O

Molecular Weight¹

162.27

• 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 : 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	0.3174		Relay (... Calculated Property
ΔfG°	-14.39	kJ/mol	Joback Calculated Property
ΔfH°gas	-190.04	kJ/mol	Relay (... Calculated Property
ΔfusH°	13.13	kJ/mol	Joback Calculated Property
ΔvapH°	62.83	kJ/mol	Relay (... Calculated Property
IE	8.41	eV	Relay (... Calculated Property
log10WS	-1.16		Relay (... Calculated Property
logPoct/wat	2.118		Crippen Calculated Property
McVol	118.810	ml/mol	McGowan Calculated Property
Pc	3791.65	kPa	Joback Calculated Property
I	[1647.00; 1647.00]
I	1647.00		NIST
I	1647.00		NIST
Tboil	496.38	K	Relay (... Calculated Property
Tc	727.99	K	Relay (... Calculated Property
Tfus	336.65	K	Relay (... Calculated Property
Vc	0.393	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[251.54; 325.15]	J/mol×K	[510.77; 758.59]
Cp,gas	251.54	J/mol×K	510.77	Joback Calculated Property
Cp,gas	265.61	J/mol×K	552.07	Joback Calculated Property
Cp,gas	278.98	J/mol×K	593.38	Joback Calculated Property
Cp,gas	291.62	J/mol×K	634.68	Joback Calculated Property
Cp,gas	303.54	J/mol×K	675.98	Joback Calculated Property
Cp,gas	314.72	J/mol×K	717.28	Joback Calculated Property
Cp,gas	325.15	J/mol×K	758.59	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-3-ethyl-5-methyl-1,2-dithiolan-4-one.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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