Chemical Properties of 2,3,4-trithiahexane

InChI

InChI=1S/C3H8S3/c1-3-5-6-4-2/h3H2,1-2H3

InChI Key

XEKUTWIJPKGAQT-UHFFFAOYSA-N

Formula

C3H8S3

SMILES

CCSSSC

Molecular Weight¹

140.29

Other Names

• Methyl ethyl trisulfide
• ethyl methyl trisulfide

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2429		Relay (1.0) Calculated Property
ΔfG°	73.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-13.35	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.92	kJ/mol	Joback Calculated Property
ΔvapH°	52.38	kJ/mol	Relay (1.0) Calculated Property
IE	8.46	eV	Relay (1.0) Calculated Property
log10WS	-2.26		Relay (1.0) Calculated Property
logPoct/wat	2.666		Crippen Calculated Property
McVol	102.180	ml/mol	McGowan Calculated Property
Pc	4723.61	kPa	Joback Calculated Property
Inp	[1030.00; 1082.00]
Inp	1054.00		NIST
Inp	1082.00		NIST
Inp	1030.00		NIST
Inp	1044.00		NIST
Inp	1030.00		NIST
Inp	1054.00		NIST
Tboil	467.46	K	Relay (1.0) Calculated Property
Tc	707.58	K	Relay (1.0) Calculated Property
Tfus	234.05	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[177.54; 223.61]	J/mol×K	[474.38; 721.99]
Cp,gas	177.54	J/mol×K	474.38	Joback Calculated Property
Cp,gas	186.23	J/mol×K	515.65	Joback Calculated Property
Cp,gas	194.55	J/mol×K	556.92	Joback Calculated Property
Cp,gas	202.47	J/mol×K	598.18	Joback Calculated Property
Cp,gas	209.97	J/mol×K	639.45	Joback Calculated Property
Cp,gas	217.02	J/mol×K	680.72	Joback Calculated Property
Cp,gas	223.61	J/mol×K	721.99	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,3,4-trithiahexane.

Sources

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

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