Chemical Properties of 1-Oxa-4,7,10-trithiacyclododecane

InChI

InChI=1S/C8H16OS3/c1-3-10-5-7-12-8-6-11-4-2-9-1/h1-8H2

InChI Key

GBFAGTGBGJQKBG-UHFFFAOYSA-N

Formula

C8H16OS3

SMILES

C1CSCCSCCSCCO1

Molecular Weight¹

224.41

• 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°	9.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-166.97	kJ/mol	Joback Calculated Property
ΔfusH°	13.59	kJ/mol	Joback Calculated Property
ΔvapH°	57.12	kJ/mol	Joback Calculated Property
log10WS	-1.80		Crippen Calculated Property
logPoct/wat	2.216		Crippen Calculated Property
McVol	167.640	ml/mol	McGowan Calculated Property
Pc	3786.98	kPa	Joback Calculated Property
Inp	[1885.00; 1885.00]
Inp	1885.00		NIST
Inp	1885.00		NIST
Tboil	602.72	K	Joback Calculated Property
Tc	903.58	K	Joback Calculated Property
Tfus	447.34	K	Joback Calculated Property
Vc	0.528	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[393.65; 501.02]	J/mol×K	[602.72; 903.58]
Cp,gas	393.65	J/mol×K	602.72	Joback Calculated Property
Cp,gas	416.55	J/mol×K	652.86	Joback Calculated Property
Cp,gas	437.48	J/mol×K	703.01	Joback Calculated Property
Cp,gas	456.43	J/mol×K	753.15	Joback Calculated Property
Cp,gas	473.35	J/mol×K	803.29	Joback Calculated Property
Cp,gas	488.22	J/mol×K	853.43	Joback Calculated Property
Cp,gas	501.02	J/mol×K	903.58	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Oxa-4,7,10-trithiacyclododecane.

Sources

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

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