Chemical Properties of 4-ethyl-3,5-dithiaheptane

InChI

InChI=1S/C7H16S2/c1-4-7(8-5-2)9-6-3/h7H,4-6H2,1-3H3

InChI Key

JZLJYGACXAEBDF-UHFFFAOYSA-N

Formula

C7H16S2

SMILES

CCSC(CC)SCC

Molecular Weight¹

164.33

Other Names

• 1,1-bis(ethylthio)propane

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point 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	-110.78	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.62	kJ/mol	Joback Calculated Property
ΔvapH°	57.71	kJ/mol	Relay (1.0) Calculated Property
IE	8.19	eV	Relay (1.0) Calculated Property
logPoct/wat	3.229		Crippen Calculated Property
McVol	142.190	ml/mol	McGowan Calculated Property
Inp	[1165.00; 1168.00]
Inp	1165.00		NIST
Inp	1168.00		NIST
Inp	1168.00		NIST
Inp	1165.00		NIST
Tboil	474.07	K	Relay (1.0) Calculated Property
Tfus	191.87	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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	[296.60; 370.16]	J/mol×K	[496.68; 710.61]
Cp,gas	296.60	J/mol×K	496.68	Joback Calculated Property
Cp,gas	310.45	J/mol×K	532.33	Joback Calculated Property
Cp,gas	323.66	J/mol×K	567.99	Joback Calculated Property
Cp,gas	336.24	J/mol×K	603.64	Joback Calculated Property
Cp,gas	348.17	J/mol×K	639.30	Joback Calculated Property
Cp,gas	359.48	J/mol×K	674.95	Joback Calculated Property
Cp,gas	370.16	J/mol×K	710.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-ethyl-3,5-dithiaheptane.

Sources

• Cheméo Relay (1.0)
• 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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