Chemical Properties of 3,4,6-trimethyl-1,2,5-trithiane

InChI

InChI=1S/C6H12S3/c1-4-5(2)8-9-6(3)7-4/h4-6H,1-3H3

InChI Key

SOYQIYHSRMLLFM-UHFFFAOYSA-N

Formula

C6H12S3

SMILES

CC1SSC(C)C(C)S1

Molecular Weight¹

180.35

• 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°	128.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-17.75	kJ/mol	Joback Calculated Property
ΔfusH°	16.24	kJ/mol	Joback Calculated Property
ΔvapH°	46.20	kJ/mol	Joback Calculated Property
log10WS	-3.70		Crippen Calculated Property
logPoct/wat	3.238		Crippen Calculated Property
McVol	133.590	ml/mol	McGowan Calculated Property
Pc	3572.80	kPa	Joback Calculated Property
Inp	[1499.00; 1499.00]
Inp	1499.00		NIST
Inp	1499.00		NIST
Tboil	490.38	K	Joback Calculated Property
Tc	744.71	K	Joback Calculated Property
Tfus	406.63	K	Joback Calculated Property
Vc	0.441	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[271.27; 354.22]	J/mol×K	[490.38; 744.71]
Cp,gas	271.27	J/mol×K	490.38	Joback Calculated Property
Cp,gas	287.41	J/mol×K	532.77	Joback Calculated Property
Cp,gas	302.61	J/mol×K	575.16	Joback Calculated Property
Cp,gas	316.87	J/mol×K	617.55	Joback Calculated Property
Cp,gas	330.21	J/mol×K	659.94	Joback Calculated Property
Cp,gas	342.65	J/mol×K	702.32	Joback Calculated Property
Cp,gas	354.22	J/mol×K	744.71	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3,4,6-trimethyl-1,2,5-trithiane.

Sources

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

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