Chemical Properties of 2-Butyl methyl trisulphide

InChI

InChI=1S/C5H12S3/c1-4-5(2)7-8-6-3/h5H,4H2,1-3H3

InChI Key

SIUGIGZNLAXXRJ-UHFFFAOYSA-N

Formula

C5H12S3

SMILES

CCC(C)SSSC

Molecular Weight¹

168.34

• 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).
• 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
ΔfG°	88.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-26.20	kJ/mol	Joback Calculated Property
ΔfusH°	17.57	kJ/mol	Joback Calculated Property
ΔvapH°	46.79	kJ/mol	Joback Calculated Property
log10WS	-3.66		Crippen Calculated Property
logPoct/wat	3.444		Crippen Calculated Property
McVol	130.360	ml/mol	McGowan Calculated Property
Pc	3722.56	kPa	Joback Calculated Property
Inp	[1171.00; 1171.00]
Inp	1171.00		NIST
Inp	1171.00		NIST
Tboil	519.70	K	Joback Calculated Property
Tc	763.71	K	Joback Calculated Property
Tfus	234.31	K	Joback Calculated Property
Vc	0.471	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[258.40; 320.94]	J/mol×K	[519.70; 763.71]
Cp,gas	258.40	J/mol×K	519.70	Joback Calculated Property
Cp,gas	270.44	J/mol×K	560.37	Joback Calculated Property
Cp,gas	281.85	J/mol×K	601.04	Joback Calculated Property
Cp,gas	292.62	J/mol×K	641.70	Joback Calculated Property
Cp,gas	302.74	J/mol×K	682.37	Joback Calculated Property
Cp,gas	312.18	J/mol×K	723.04	Joback Calculated Property
Cp,gas	320.94	J/mol×K	763.71	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Butyl methyl trisulphide.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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