Chemical Properties of 4-methyl-2,3,5-trithiahexane (CAS 4413-29-0)

InChI

InChI=1S/C4H10S3/c1-4(5-2)7-6-3/h4H,1-3H3

InChI Key

BILDZELNIVRXQA-UHFFFAOYSA-N

Formula

C4H10S3

SMILES

CSSC(C)SC

Molecular Weight¹

154.32

CAS

4413-29-0

Other Names

• Methyl 1-(methylthio)ethyl disulphide
• 1-(Methylthioethyl) methyl disulfide

• 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	0.2678		Relay (1.0) Calculated Property
ΔfG°	79.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-37.24	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.98	kJ/mol	Joback Calculated Property
ΔvapH°	53.54	kJ/mol	Relay (1.0) Calculated Property
IE	8.39	eV	Relay (1.0) Calculated Property
log10WS	-1.71		Relay (1.0) Calculated Property
logPoct/wat	2.707		Crippen Calculated Property
McVol	116.270	ml/mol	McGowan Calculated Property
Pc	4200.18	kPa	Joback Calculated Property
Inp	[1131.00; 1145.00]
Inp	1145.00		NIST
Inp	1145.00		NIST
Inp	1144.00		NIST
Inp	Outlier 1131.00		NIST
Inp	1144.00		NIST
Inp	1145.00		NIST
Tboil	479.69	K	Relay (1.0) Calculated Property
Tc	688.85	K	Relay (1.0) Calculated Property
Tfus	222.05	K	Relay (1.0) Calculated Property
Vc	0.390	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[217.04; 272.55]	J/mol×K	[496.82; 745.77]
Cp,gas	217.04	J/mol×K	496.82	Joback Calculated Property
Cp,gas	227.67	J/mol×K	538.31	Joback Calculated Property
Cp,gas	237.77	J/mol×K	579.80	Joback Calculated Property
Cp,gas	247.33	J/mol×K	621.29	Joback Calculated Property
Cp,gas	256.33	J/mol×K	662.79	Joback Calculated Property
Cp,gas	264.74	J/mol×K	704.28	Joback Calculated Property
Cp,gas	272.55	J/mol×K	745.77	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-methyl-2,3,5-trithiahexane.

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.