Chemical Properties of 4,6-Dimethyl-[1,2,3]trithiane

InChI

InChI=1S/C5H10S3/c1-4-3-5(2)7-8-6-4/h4-5H,3H2,1-2H3

InChI Key

JJKQDZKSTXTCRP-UHFFFAOYSA-N

Formula

C5H10S3

SMILES

CC1CC(C)SSS1

Molecular Weight¹

166.33

Other Names

• 3,5-dimethyl-1,2,6-trithiane

• 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	0.2585		Relay (1.0) Calculated Property
ΔfG°	127.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-10.22	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.58	kJ/mol	Joback Calculated Property
ΔvapH°	67.18	kJ/mol	Relay (1.0) Calculated Property
IE	8.05	eV	Relay (1.0) Calculated Property
log10WS	-3.18		Relay (1.0) Calculated Property
logPoct/wat	3.197		Crippen Calculated Property
McVol	119.500	ml/mol	McGowan Calculated Property
Pc	4194.74	kPa	Joback Calculated Property
Inp	[1262.00; 1275.00]
Inp	1265.00		NIST
Inp	1275.00		NIST
Inp	1262.00		NIST
Inp	1271.00		NIST
Inp	1265.00		NIST
Tboil	524.02	K	Relay (1.0) Calculated Property
Tc	730.31	K	Relay (1.0) Calculated Property
Tfus	307.88	K	Relay (1.0) Calculated Property
Vc	0.402	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[228.14; 301.46]	J/mol×K	[472.17; 731.77]
Cp,gas	228.14	J/mol×K	472.17	Joback Calculated Property
Cp,gas	242.55	J/mol×K	515.44	Joback Calculated Property
Cp,gas	256.04	J/mol×K	558.70	Joback Calculated Property
Cp,gas	268.65	J/mol×K	601.97	Joback Calculated Property
Cp,gas	280.41	J/mol×K	645.24	Joback Calculated Property
Cp,gas	291.33	J/mol×K	688.50	Joback Calculated Property
Cp,gas	301.46	J/mol×K	731.77	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4,6-Dimethyl-[1,2,3]trithiane.

Sources

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

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