Chemical Properties of 6-Ethyl-4,5,7,8-tetrathiaundecane

InChI

InChI=1S/C9H20S4/c1-4-7-10-12-9(6-3)13-11-8-5-2/h9H,4-8H2,1-3H3

InChI Key

RIOBTICKNGDVHT-UHFFFAOYSA-N

Formula

C9H20S4

SMILES

CCCSSC(CC)SSCCC

Molecular Weight¹

256.53

• 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	-130.00	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.06	kJ/mol	Joback Calculated Property
ΔvapH°	76.54	kJ/mol	Relay (1.0) Calculated Property
IE	8.26	eV	Relay (1.0) Calculated Property
logPoct/wat	5.305		Crippen Calculated Property
McVol	203.070	ml/mol	McGowan Calculated Property
Inp	[1744.40; 1799.60]
Inp	1744.40		NIST
Inp	1772.00		NIST
Inp	1799.60		NIST
Inp	1744.40		NIST
Inp	1799.60		NIST
Tboil	580.30	K	Relay (1.0) Calculated Property
Tfus	204.12	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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[278.10; 590.54]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			7.14250e+01
Coefficient B			8.42320e-01
Coefficient C			-3.08200e-04
Coefficient D			-1.50000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	278.10	J/mol×K	273.00	Calculated Property
Cp,gas	330.18	J/mol×K	353.78	Calculated Property
Cp,gas	378.03	J/mol×K	434.56	Calculated Property
Cp,gas	421.60	J/mol×K	515.33	Calculated Property
Cp,gas	460.85	J/mol×K	596.11	Calculated Property
Cp,gas	495.72	J/mol×K	676.89	Calculated Property
Cp,gas	526.17	J/mol×K	757.67	Calculated Property
Cp,gas	552.16	J/mol×K	838.44	Calculated Property
Cp,gas	573.63	J/mol×K	919.22	Calculated Property
Cp,gas	590.54	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 6-Ethyl-4,5,7,8-tetrathiaundecane.

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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