Chemical Properties of 6-Ethyl-4,5,7-trithia-2,8-decadiene (CAS 126876-28-6)

InChI

InChI=1S/C9H16S3/c1-4-7-10-9(6-3)12-11-8-5-2/h4-5,7-9H,6H2,1-3H3/b7-4+,8-5+

InChI Key

YFTPKQUIYROJDX-NSLJXJERSA-N

Formula

C9H16S3

SMILES

CC=CSSC(CC)SC=CC

Molecular Weight¹

220.42

CAS

126876-28-6

• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.2924		Relay (... Calculated Property
ΔfG°	282.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-20.76	kJ/mol	Relay (... Calculated Property
ΔfusH°	28.34	kJ/mol	Joback Calculated Property
ΔvapH°	69.10	kJ/mol	Relay (... Calculated Property
IE	7.77	eV	Relay (... Calculated Property
log10WS	-4.43		Relay (... Calculated Property
logPoct/wat	4.904		Crippen Calculated Property
McVol	178.120	ml/mol	McGowan Calculated Property
Pc	2715.50	kPa	Joback Calculated Property
Inp	[1547.60; 1603.10]
Inp	1603.10		NIST
Inp	1547.60		NIST
Inp	1584.00		NIST
Inp	1547.60		NIST
Inp	1573.00		NIST
Inp	1584.00		NIST
Inp	1602.00		NIST
Inp	1573.00		NIST
Inp	1584.00		NIST
Inp	1603.10		NIST
Tboil	536.15	K	Relay (... Calculated Property
Tc	703.84	K	Relay (... Calculated Property
Tfus	224.86	K	Relay (... Calculated Property
Vc	0.563	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[401.05; 475.03]	J/mol×K	[619.54; 865.36]
Cp,gas	401.05	J/mol×K	619.54	Joback Calculated Property
Cp,gas	415.78	J/mol×K	660.51	Joback Calculated Property
Cp,gas	429.49	J/mol×K	701.48	Joback Calculated Property
Cp,gas	442.22	J/mol×K	742.45	Joback Calculated Property
Cp,gas	454.03	J/mol×K	783.42	Joback Calculated Property
Cp,gas	464.95	J/mol×K	824.39	Joback Calculated Property
Cp,gas	475.03	J/mol×K	865.36	Joback Calculated Property

Similar Compounds

Find more compounds similar to 6-Ethyl-4,5,7-trithia-2,8-decadiene.

Sources

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

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