Chemical Properties of 1,4,6,9-Tetrathiaspiro[4.4]nonane

InChI

InChI=1S/C5H8S4/c1-2-7-5(6-1)8-3-4-9-5/h1-4H2

InChI Key

OIXFQRVSKVVDFW-UHFFFAOYSA-N

Formula

C5H8S4

SMILES

C1CSC2(S1)SCCS2

Molecular Weight¹

196.39

Other Names

• Orthocarbonic acid, tetrathio-, cyclic diethylene ester

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	5.93	kJ/mol	Joback Calculated Property
IE	[8.26; 8.35]	eV
IE	8.26	eV	NIST
IE	8.35	eV	NIST
logPoct/wat	2.558		Crippen Calculated Property
McVol	124.990	ml/mol	McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[250.11; 315.16]	J/mol×K	[536.52; 849.86]
Cp,gas	250.11	J/mol×K	536.52	Joback Calculated Property
Cp,gas	263.52	J/mol×K	588.74	Joback Calculated Property
Cp,gas	275.30	J/mol×K	640.97	Joback Calculated Property
Cp,gas	285.92	J/mol×K	693.19	Joback Calculated Property
Cp,gas	295.80	J/mol×K	745.41	Joback Calculated Property
Cp,gas	305.40	J/mol×K	797.64	Joback Calculated Property
Cp,gas	315.16	J/mol×K	849.86	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,4,6,9-Tetrathiaspiro[4.4]nonane.

Sources

• 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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