Chemical Properties of Bicyclo[3.3.1]heptane, 6,6-dimethyl-2,7-bis-(methylthio)

InChI

InChI=1S/C12H22S2/c1-11(2)9-5-6-12(14-4,8-13-3)10(11)7-9/h9-10H,5-8H2,1-4H3

InChI Key

BAFXWEACXKZZCP-UHFFFAOYSA-N

Formula

C12H22S2

SMILES

CSCC1(SC)CCC2CC1C2(C)C

Molecular Weight¹

230.43

• 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.
• 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°	199.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-78.03	kJ/mol	Joback Calculated Property
ΔfusH°	18.81	kJ/mol	Joback Calculated Property
ΔvapH°	53.02	kJ/mol	Joback Calculated Property
log10WS	-3.79		Crippen Calculated Property
logPoct/wat	3.907		Crippen Calculated Property
McVol	190.920	ml/mol	McGowan Calculated Property
Pc	2433.84	kPa	Joback Calculated Property
Inp	[1690.00; 1690.00]
Inp	1690.00		NIST
Inp	1690.00		NIST
Tboil	620.41	K	Joback Calculated Property
Tc	868.89	K	Joback Calculated Property
Tfus	365.48	K	Joback Calculated Property
Vc	0.716	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[508.00; 619.30]	J/mol×K	[620.41; 868.89]
Cp,gas	508.00	J/mol×K	620.41	Joback Calculated Property
Cp,gas	528.34	J/mol×K	661.82	Joback Calculated Property
Cp,gas	547.52	J/mol×K	703.24	Joback Calculated Property
Cp,gas	565.87	J/mol×K	744.65	Joback Calculated Property
Cp,gas	583.73	J/mol×K	786.07	Joback Calculated Property
Cp,gas	601.43	J/mol×K	827.48	Joback Calculated Property
Cp,gas	619.30	J/mol×K	868.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[3.3.1]heptane, 6,6-dimethyl-2,7-bis-(methylthio).

Sources

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

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