Chemical Properties of Bicyclo[4.1.0]heptane, 3,7,7-trimethyl-3,4-bis-(methylthio)

InChI

InChI=1S/C12H22S2/c1-11(2)8-6-10(13-4)12(3,14-5)7-9(8)11/h8-10H,6-7H2,1-5H3/t8?,9?,10-,12+/m0/s1

InChI Key

GHHXTHWFXOUDSH-ILDFIYDHSA-N

Formula

C12H22S2

SMILES

CSC1CC2C(CC1(C)SC)C2(C)C

Molecular Weight¹

230.43

• 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	0.3332		Relay (1.0) Calculated Property
ΔfG°	191.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-53.14	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.88	kJ/mol	Joback Calculated Property
ΔvapH°	71.93	kJ/mol	Relay (1.0) Calculated Property
IE	8.08	eV	Relay (1.0) Calculated Property
log10WS	-4.32		Relay (1.0) Calculated Property
logPoct/wat	3.906		Crippen Calculated Property
McVol	190.920	ml/mol	McGowan Calculated Property
Pc	2356.49	kPa	Joback Calculated Property
Inp	[1764.00; 1764.00]
Inp	1764.00		NIST
Inp	1764.00		NIST
Tboil	538.69	K	Relay (1.0) Calculated Property
Tc	783.66	K	Relay (1.0) Calculated Property
Tfus	297.34	K	Relay (1.0) Calculated Property
Vc	0.643	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[509.67; 623.56]	J/mol×K	[615.74; 864.38]
Cp,gas	509.67	J/mol×K	615.74	Joback Calculated Property
Cp,gas	530.58	J/mol×K	657.18	Joback Calculated Property
Cp,gas	550.29	J/mol×K	698.62	Joback Calculated Property
Cp,gas	569.12	J/mol×K	740.06	Joback Calculated Property
Cp,gas	587.40	J/mol×K	781.50	Joback Calculated Property
Cp,gas	605.43	J/mol×K	822.94	Joback Calculated Property
Cp,gas	623.56	J/mol×K	864.38	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bicyclo[4.1.0]heptane, 3,7,7-trimethyl-3,4-bis-(methylthio).

Sources

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

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