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

InChI

InChI=1S/C9H18S3/c1-4-7-10-8(5-2)12-9(6-3)11-7/h7-9H,4-6H2,1-3H3

InChI Key

PHQSYHLEPPMJSU-UHFFFAOYSA-N

Formula

C9H18S3

SMILES

CCC1SC(CC)SC(CC)S1

Molecular Weight¹

222.43

• 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.
• I : 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°	153.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-79.67	kJ/mol	Joback Calculated Property
ΔfusH°	24.01	kJ/mol	Joback Calculated Property
ΔvapH°	52.88	kJ/mol	Joback Calculated Property
log10WS	-4.96		Crippen Calculated Property
logPoct/wat	4.408		Crippen Calculated Property
McVol	175.860	ml/mol	McGowan Calculated Property
Pc	2600.43	kPa	Joback Calculated Property
Inp	1560.70		NIST
I	[2040.00; 2040.00]
I	2040.00		NIST
I	2040.00		NIST
Tboil	559.02	K	Joback Calculated Property
Tc	798.16	K	Joback Calculated Property
Tfus	440.44	K	Joback Calculated Property
Vc	0.609	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[408.76; 506.50]	J/mol×K	[559.02; 798.16]
Cp,gas	408.76	J/mol×K	559.02	Joback Calculated Property
Cp,gas	427.79	J/mol×K	598.88	Joback Calculated Property
Cp,gas	445.68	J/mol×K	638.73	Joback Calculated Property
Cp,gas	462.47	J/mol×K	678.59	Joback Calculated Property
Cp,gas	478.18	J/mol×K	718.44	Joback Calculated Property
Cp,gas	492.85	J/mol×K	758.30	Joback Calculated Property
Cp,gas	506.50	J/mol×K	798.16	Joback Calculated Property

Similar Compounds

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

Sources

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

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