Chemical Properties of 1,4,6,9-Tetrathiaspiro[4.4]nonane (CAS 13145-46-5)

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

196.38

CAS

13145-46-5

Other Names

• Orthocarbonic acid, tetrathio-, cyclic diethylene ester

• 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).
• 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	0.2172		Relay (1.0) Calculated Property
ΔfG°	238.08	kJ/mol	Joback Calculated Property
ΔfH°gas	75.62	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	5.93	kJ/mol	Joback Calculated Property
ΔvapH°	91.21	kJ/mol	Relay (1.0) Calculated Property
IE	[8.26; 8.35]	eV
IE	8.26	eV	NIST
IE	8.35	eV	NIST
log10WS	-2.86		Relay (1.0) Calculated Property
logPoct/wat	2.558		Crippen Calculated Property
McVol	124.990	ml/mol	McGowan Calculated Property
Pc	5836.07	kPa	Joback Calculated Property
Tboil	566.28	K	Relay (1.0) Calculated Property
Tc	842.81	K	Relay (1.0) Calculated Property
Tfus	487.97	K	Relay (1.0) Calculated Property
Vc	0.394	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[250.06; 315.10]	J/mol×K	[536.32; 849.54]
Cp,gas	250.06	J/mol×K	536.32	Joback Calculated Property
Cp,gas	263.46	J/mol×K	588.52	Joback Calculated Property
Cp,gas	275.25	J/mol×K	640.73	Joback Calculated Property
Cp,gas	285.87	J/mol×K	692.93	Joback Calculated Property
Cp,gas	295.75	J/mol×K	745.14	Joback Calculated Property
Cp,gas	305.35	J/mol×K	797.34	Joback Calculated Property
Cp,gas	315.10	J/mol×K	849.54	Joback Calculated Property

Similar Compounds

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

Sources

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

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