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

• 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	0.2502		Relay (... Calculated Property
ΔfG°	128.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-67.37	kJ/mol	Relay (... Calculated Property
ΔfusH°	16.24	kJ/mol	Joback Calculated Property
ΔvapH°	67.36	kJ/mol	Relay (... Calculated Property
IE	8.26	eV	Relay (... Calculated Property
log10WS	-2.45		Relay (... 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	519.78	K	Relay (... Calculated Property
Tc	733.81	K	Relay (... Calculated Property
Tfus	302.31	K	Relay (... Calculated Property
Vc	0.448	m3/kmol	Relay (... 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

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.