Chemical Properties of 2-ethyl-4-methyl-1,3-dithiolane

InChI

InChI=1S/C6H12S2/c1-3-6-7-4-5(2)8-6/h5-6H,3-4H2,1-2H3

InChI Key

PYBVIKJOGRMFFA-UHFFFAOYSA-N

Formula

C6H12S2

SMILES

CCC1SCC(C)S1

Molecular Weight¹

148.29

• 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.
• 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	0.2444		Relay (1.0) Calculated Property
ΔfG°	108.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-62.67	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.62	kJ/mol	Joback Calculated Property
ΔvapH°	55.65	kJ/mol	Relay (1.0) Calculated Property
IE	8.29	eV	Relay (1.0) Calculated Property
log10WS	-2.34		Relay (1.0) Calculated Property
logPoct/wat	2.591		Crippen Calculated Property
McVol	117.240	ml/mol	McGowan Calculated Property
Pc	3633.35	kPa	Joback Calculated Property
Inp	[1117.00; 1174.00]
Inp	1117.00		NIST
Inp	1130.00		NIST
Inp	1130.00		NIST
Inp	1142.00		NIST
Inp	1156.00		NIST
Inp	1174.00		NIST
Inp	1130.00		NIST
Inp	1117.00		NIST
Inp	1153.00		NIST
Tboil	469.98	K	Relay (1.0) Calculated Property
Tc	686.94	K	Relay (1.0) Calculated Property
Tfus	240.71	K	Relay (1.0) Calculated Property
Vc	0.402	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[226.98; 303.23]	J/mol×K	[442.95; 672.12]
Cp,gas	226.98	J/mol×K	442.95	Joback Calculated Property
Cp,gas	241.66	J/mol×K	481.14	Joback Calculated Property
Cp,gas	255.51	J/mol×K	519.34	Joback Calculated Property
Cp,gas	268.56	J/mol×K	557.53	Joback Calculated Property
Cp,gas	280.84	J/mol×K	595.73	Joback Calculated Property
Cp,gas	292.39	J/mol×K	633.92	Joback Calculated Property
Cp,gas	303.23	J/mol×K	672.12	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-ethyl-4-methyl-1,3-dithiolane.

Sources

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

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