Chemical Properties of 1,1-bis(methylthio)-2-methylpropane

InChI

InChI=1S/C6H14S2/c1-5(2)6(7-3)8-4/h5-6H,1-4H3

InChI Key

VQUIXMGMUWVWNV-UHFFFAOYSA-N

Formula

C6H14S2

SMILES

CSC(SC)C(C)C

Molecular Weight¹

150.31

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• 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
ω	0.2811		Relay (1.0) Calculated Property
ΔfH°gas	-105.53	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.51	kJ/mol	Joback Calculated Property
ΔvapH°	52.19	kJ/mol	Relay (1.0) Calculated Property
IE	8.47	eV	Relay (1.0) Calculated Property
logPoct/wat	2.694		Crippen Calculated Property
McVol	128.100	ml/mol	McGowan Calculated Property
Pc	3287.81	kPa	Joback Calculated Property
I	[1415.00; 1415.00]
I	1415.00		NIST
I	1415.00		NIST
Tboil	442.14	K	Relay (1.0) Calculated Property
Tc	650.69	K	Relay (1.0) Calculated Property
Tfus	192.13	K	Relay (1.0) Calculated Property
Vc	0.429	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[173.14; 383.13]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			3.32700e+01
Coefficient B			5.74460e-01
Coefficient C			-2.28600e-04
Coefficient D			4.00000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	173.14	J/mol×K	273.00	Calculated Property
Cp,gas	208.07	J/mol×K	353.78	Calculated Property
Cp,gas	240.06	J/mol×K	434.56	Calculated Property
Cp,gas	269.15	J/mol×K	515.33	Calculated Property
Cp,gas	295.33	J/mol×K	596.11	Calculated Property
Cp,gas	318.62	J/mol×K	676.89	Calculated Property
Cp,gas	339.03	J/mol×K	757.67	Calculated Property
Cp,gas	356.58	J/mol×K	838.44	Calculated Property
Cp,gas	371.27	J/mol×K	919.22	Calculated Property
Cp,gas	383.13	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,1-bis(methylthio)-2-methylpropane.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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