Chemical Properties of 4,8-diethyl-2-thiaadamantane

InChI

InChI=1S/C13H22S/c1-3-10-8-5-9-7-12(10)14-13(6-8)11(9)4-2/h8-13H,3-7H2,1-2H3

InChI Key

HMDMYPGLMLNKOS-UHFFFAOYSA-N

Formula

C13H22S

SMILES

CCC1C2CC3CC1SC(C2)C3CC

Molecular Weight¹

210.38

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	28.60	kJ/mol	Joback Calculated Property
IE	7.67	eV	Relay (1.0) Calculated Property
logPoct/wat	3.953		Crippen Calculated Property
McVol	177.800	ml/mol	McGowan Calculated Property
Inp	[1718.00; 1772.00]
Inp	1718.00		NIST
Inp	1730.00		NIST
Inp	1743.00		NIST
Inp	1732.00		NIST
Inp	1745.00		NIST
Inp	1757.00		NIST
Inp	1746.00		NIST
Inp	1759.00		NIST
Inp	1772.00		NIST
Inp	1718.00		NIST
Inp	1757.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[237.38; 677.31]	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			-1.25138e+02
Coefficient B			1.61685e+00
Coefficient C			-1.15010e-03
Coefficient D			3.35700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	237.38	J/mol×K	273.00	Calculated Property
Cp,gas	317.79	J/mol×K	353.78	Calculated Property
Cp,gas	387.84	J/mol×K	434.56	Calculated Property
Cp,gas	448.59	J/mol×K	515.33	Calculated Property
Cp,gas	501.11	J/mol×K	596.11	Calculated Property
Cp,gas	546.45	J/mol×K	676.89	Calculated Property
Cp,gas	585.68	J/mol×K	757.67	Calculated Property
Cp,gas	619.86	J/mol×K	838.44	Calculated Property
Cp,gas	650.05	J/mol×K	919.22	Calculated Property
Cp,gas	677.31	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 4,8-diethyl-2-thiaadamantane.

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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