Chemical Properties of Disulfide, methyl 2-methyl-1-(methylthio)propyl (CAS 69078-81-5)

InChI

InChI=1S/C6H14S3/c1-5(2)6(7-3)9-8-4/h5-6H,1-4H3

InChI Key

XZMIKYIHVMVWFE-UHFFFAOYSA-N

Formula

C6H14S3

SMILES

CSSC(SC)C(C)C

Molecular Weight¹

182.37

CAS

69078-81-5

Other Names

• 3-Isopropyl-2,4,5-trithiahexane
• 2,4,5-Trithiahexane, 3-(1-methylethyl), #1

• 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	0.2979		Relay (1.0) Calculated Property
ΔfG°	94.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-77.80	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.64	kJ/mol	Joback Calculated Property
ΔvapH°	58.47	kJ/mol	Relay (1.0) Calculated Property
IE	8.27	eV	Relay (1.0) Calculated Property
log10WS	-2.90		Relay (1.0) Calculated Property
logPoct/wat	3.343		Crippen Calculated Property
McVol	144.450	ml/mol	McGowan Calculated Property
Pc	3352.86	kPa	Joback Calculated Property
Inp	[1300.00; 1300.00]
Inp	1300.00		NIST
Inp	1300.00		NIST
Tboil	500.59	K	Relay (1.0) Calculated Property
Tc	700.08	K	Relay (1.0) Calculated Property
Tfus	229.03	K	Relay (1.0) Calculated Property
Vc	0.470	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[302.13; 372.35]	J/mol×K	[542.14; 786.93]
Cp,gas	302.13	J/mol×K	542.14	Joback Calculated Property
Cp,gas	315.78	J/mol×K	582.94	Joback Calculated Property
Cp,gas	328.66	J/mol×K	623.74	Joback Calculated Property
Cp,gas	340.77	J/mol×K	664.54	Joback Calculated Property
Cp,gas	352.09	J/mol×K	705.33	Joback Calculated Property
Cp,gas	362.62	J/mol×K	746.13	Joback Calculated Property
Cp,gas	372.35	J/mol×K	786.93	Joback Calculated Property

Similar Compounds

Find more compounds similar to Disulfide, methyl 2-methyl-1-(methylthio)propyl.

Sources

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

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