Chemical Properties of Butane, 1,4-bis(ethylthio)- (CAS 54576-32-8)

InChI

InChI=1S/C8H18S2/c1-3-9-7-5-6-8-10-4-2/h3-8H2,1-2H3

InChI Key

VWVDTVNQHHSYBD-UHFFFAOYSA-N

Formula

C8H18S2

SMILES

CCSCCCCSCC

Molecular Weight¹

178.36

CAS

54576-32-8

Other Names

• 3,8-Dithiadecane

• 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).
• 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
ΔfH°gas	-155.76	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.74	kJ/mol	Joback Calculated Property
ΔvapH°	68.59	kJ/mol	Relay (1.0) Calculated Property
IE	8.33	eV	Relay (1.0) Calculated Property
log10WS	-3.31		Relay (1.0) Calculated Property
logPoct/wat	3.273		Crippen Calculated Property
McVol	156.280	ml/mol	McGowan Calculated Property
Pc	2624.46	kPa	Joback Calculated Property
Inp	[1382.00; 1382.00]
Inp	1382.00		NIST
Inp	1382.00		NIST
Tboil	514.49	K	Relay (1.0) Calculated Property
Tc	699.39	K	Relay (1.0) Calculated Property
Tfus	231.41	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[340.81; 417.87]	J/mol×K	[520.20; 726.28]
Cp,gas	340.81	J/mol×K	520.20	Joback Calculated Property
Cp,gas	355.30	J/mol×K	554.55	Joback Calculated Property
Cp,gas	369.12	J/mol×K	588.89	Joback Calculated Property
Cp,gas	382.28	J/mol×K	623.24	Joback Calculated Property
Cp,gas	394.79	J/mol×K	657.59	Joback Calculated Property
Cp,gas	406.65	J/mol×K	691.93	Joback Calculated Property
Cp,gas	417.87	J/mol×K	726.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to Butane, 1,4-bis(ethylthio)-.

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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