Chemical Properties of 2-methyl-3,7-dithiaoctane

InChI

InChI=1S/C7H16S2/c1-7(2)9-6-4-5-8-3/h7H,4-6H2,1-3H3

InChI Key

PFPOFGJKQAPIDH-UHFFFAOYSA-N

Formula

C7H16S2

SMILES

CSCCCSC(C)C

Molecular Weight¹

164.33

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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	[194.67; 434.18]	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			3.40430e+01
Coefficient B			6.63540e-01
Coefficient C			-2.79800e-04
Coefficient D			1.64000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	194.67	J/mol×K	273.00	Calculated Property
Cp,gas	234.50	J/mol×K	353.78	Calculated Property
Cp,gas	270.90	J/mol×K	434.56	Calculated Property
Cp,gas	303.93	J/mol×K	515.33	Calculated Property
Cp,gas	333.63	J/mol×K	596.11	Calculated Property
Cp,gas	360.07	J/mol×K	676.89	Calculated Property
Cp,gas	383.30	J/mol×K	757.67	Calculated Property
Cp,gas	403.35	J/mol×K	838.44	Calculated Property
Cp,gas	420.30	J/mol×K	919.22	Calculated Property
Cp,gas	434.18	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-methyl-3,7-dithiaoctane.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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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