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

InChI

InChI=1S/C15H26S/c1-3-5-12-10-7-11-9-14(12)16-15(8-10)13(11)6-4-2/h10-15H,3-9H2,1-2H3

InChI Key

ZJMZEHFJOGVBHY-UHFFFAOYSA-N

Formula

C15H26S

SMILES

CCCC1C2CC3CC1SC(C2)C3CCC

Molecular Weight¹

238.43

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• 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°	33.78	kJ/mol	Joback Calculated Property
logPoct/wat	4.733		Crippen Calculated Property
McVol	205.980	ml/mol	McGowan Calculated Property
Inp	[1871.00; 1930.00]
Inp	1871.00		NIST
Inp	1882.00		NIST
Inp	1894.00		NIST
Inp	1889.00		NIST
Inp	1900.00		NIST
Inp	1912.00		NIST
Inp	1906.00		NIST
Inp	1918.00		NIST
Inp	1930.00		NIST
Inp	1871.00		NIST
Inp	1912.00		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, Ionization energy, 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	[279.80; 780.49]	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			-1.26956e+02
Coefficient B			1.80685e+00
Coefficient C			-1.25890e-03
Coefficient D			3.59500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	279.80	J/mol×K	273.00	Calculated Property
Cp,gas	370.62	J/mol×K	353.78	Calculated Property
Cp,gas	449.99	J/mol×K	434.56	Calculated Property
Cp,gas	519.05	J/mol×K	515.33	Calculated Property
Cp,gas	578.93	J/mol×K	596.11	Calculated Property
Cp,gas	630.77	J/mol×K	676.89	Calculated Property
Cp,gas	675.71	J/mol×K	757.67	Calculated Property
Cp,gas	714.89	J/mol×K	838.44	Calculated Property
Cp,gas	749.44	J/mol×K	919.22	Calculated Property
Cp,gas	780.49	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 4,8-dipropyl-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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