Chemical Properties of 5,6-dimethyl-2,3,7-trithiabicyclo[2.2.1] heptane

InChI

InChI=1S/C6H10S3/c1-3-4(2)6-7-5(3)8-9-6/h3-6H,1-2H3

InChI Key

VPUSWHBKDZKTGL-UHFFFAOYSA-N

Formula

C6H10S3

SMILES

CC1C2SSC(S2)C1C

Molecular Weight¹

178.34

• 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°	213.20	kJ/mol	Joback Calculated Property
ΔfH°gas	67.37	kJ/mol	Joback Calculated Property
ΔfusH°	18.58	kJ/mol	Joback Calculated Property
ΔvapH°	45.77	kJ/mol	Joback Calculated Property
log10WS	-3.50		Crippen Calculated Property
logPoct/wat	3.053		Crippen Calculated Property
McVol	122.730	ml/mol	McGowan Calculated Property
Pc	3940.66	kPa	Joback Calculated Property
Inp	[1346.00; 1346.00]
Inp	1346.00		NIST
Inp	1346.00		NIST
Tboil	488.58	K	Joback Calculated Property
Tc	743.69	K	Joback Calculated Property
Tfus	431.61	K	Joback Calculated Property
Vc	0.413	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[257.50; 332.76]	J/mol×K	[488.58; 743.69]
Cp,gas	257.50	J/mol×K	488.58	Joback Calculated Property
Cp,gas	272.67	J/mol×K	531.10	Joback Calculated Property
Cp,gas	286.67	J/mol×K	573.62	Joback Calculated Property
Cp,gas	299.59	J/mol×K	616.14	Joback Calculated Property
Cp,gas	311.52	J/mol×K	658.65	Joback Calculated Property
Cp,gas	322.54	J/mol×K	701.17	Joback Calculated Property
Cp,gas	332.76	J/mol×K	743.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5,6-dimethyl-2,3,7-trithiabicyclo[2.2.1] heptane.

Sources

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

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