Chemical Properties of 4-Ethyl-2,3,5-trithiahexane (CAS 53897-66-8)

InChI

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

InChI Key

OGKCJWOOFUPRSV-UHFFFAOYSA-N

Formula

C5H12S3

SMILES

CCC(SC)SSC

Molecular Weight¹

168.34

CAS

53897-66-8

Other Names

• 1-(Methylthiopropyl) methyl disulfide
• Methyl 1-(methylthio)propyl disulphide
• Disulfide, methyl 1-(methylthio)propyl

• 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	0.2839		Relay (... Calculated Property
ΔfG°	88.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-54.98	kJ/mol	Relay (... Calculated Property
ΔfusH°	17.57	kJ/mol	Joback Calculated Property
ΔvapH°	57.94	kJ/mol	Relay (... Calculated Property
IE	8.31	eV	Relay (... Calculated Property
log10WS	-2.07		Relay (... Calculated Property
logPoct/wat	3.097		Crippen Calculated Property
McVol	130.360	ml/mol	McGowan Calculated Property
Pc	3722.56	kPa	Joback Calculated Property
Inp	[1220.80; 1265.10]
Inp	1220.80		NIST
Inp	1235.00		NIST
Inp	1241.00		NIST
Inp	1235.00		NIST
Inp	1265.10		NIST
Inp	1265.10		NIST
Tboil	493.27	K	Relay (... Calculated Property
Tc	696.28	K	Relay (... Calculated Property
Tfus	211.01	K	Relay (... Calculated Property
Vc	0.428	m3/kmol	Relay (... 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 4-Ethyl-2,3,5-trithiahexane.

Sources

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

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