Chemical Properties of 2,7-Dithianonane

InChI

InChI=1S/C7H16S2/c1-3-9-7-5-4-6-8-2/h3-7H2,1-2H3

InChI Key

HWFOYKFNHAOZBB-UHFFFAOYSA-N

Formula

C7H16S2

SMILES

CCSCCCCSC

Molecular Weight¹

164.33

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3774		Relay (1.0) Calculated Property
ΔfG°	74.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-131.64	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.15	kJ/mol	Joback Calculated Property
ΔvapH°	64.20	kJ/mol	Relay (1.0) Calculated Property
IE	8.27	eV	Relay (1.0) Calculated Property
log10WS	-2.55		Relay (1.0) Calculated Property
logPoct/wat	2.883		Crippen Calculated Property
McVol	142.190	ml/mol	McGowan Calculated Property
Pc	2902.98	kPa	Joback Calculated Property
Inp	[1308.00; 1308.00]
Inp	1308.00		NIST
Inp	1308.00		NIST
Tboil	501.74	K	Relay (1.0) Calculated Property
Tc	702.94	K	Relay (1.0) Calculated Property
Tfus	231.69	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[194.98; 433.64]	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			3.57250e+01
Coefficient B			6.57620e-01
Coefficient C			-2.76600e-04
Coefficient D			1.69000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	194.98	J/mol×K	273.00	Calculated Property
Cp,gas	234.51	J/mol×K	353.78	Calculated Property
Cp,gas	270.65	J/mol×K	434.56	Calculated Property
Cp,gas	303.48	J/mol×K	515.33	Calculated Property
Cp,gas	333.03	J/mol×K	596.11	Calculated Property
Cp,gas	359.37	J/mol×K	676.89	Calculated Property
Cp,gas	382.55	J/mol×K	757.67	Calculated Property
Cp,gas	402.62	J/mol×K	838.44	Calculated Property
Cp,gas	419.63	J/mol×K	919.22	Calculated Property
Cp,gas	433.64	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2,7-Dithianonane.

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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