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

InChI

InChI=1S/C17H30S/c1-3-5-7-14-12-9-13-11-16(14)18-17(10-12)15(13)8-6-4-2/h12-17H,3-11H2,1-2H3

InChI Key

URKLLDGPLCCAFG-UHFFFAOYSA-N

Formula

C17H30S

SMILES

CCCCC1C2CC3CC1SC(C2)C3CCCC

Molecular Weight¹

266.49

• 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°	38.96	kJ/mol	Joback Calculated Property
logPoct/wat	5.513		Crippen Calculated Property
McVol	234.160	ml/mol	McGowan Calculated Property
Inp	[2057.00; 2128.00]
Inp	2057.00		NIST
Inp	2070.00		NIST
Inp	2082.00		NIST
Inp	2080.00		NIST
Inp	2092.00		NIST
Inp	2104.00		NIST
Inp	2103.00		NIST
Inp	2115.00		NIST
Inp	2128.00		NIST
Inp	2057.00		NIST
Inp	2104.00		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	[322.23; 883.68]	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			-1.28774e+02
Coefficient B			1.99685e+00
Coefficient C			-1.36770e-03
Coefficient D			3.83300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	322.23	J/mol×K	273.00	Calculated Property
Cp,gas	423.46	J/mol×K	353.78	Calculated Property
Cp,gas	512.15	J/mol×K	434.56	Calculated Property
Cp,gas	589.51	J/mol×K	515.33	Calculated Property
Cp,gas	656.75	J/mol×K	596.11	Calculated Property
Cp,gas	715.10	J/mol×K	676.89	Calculated Property
Cp,gas	765.75	J/mol×K	757.67	Calculated Property
Cp,gas	809.92	J/mol×K	838.44	Calculated Property
Cp,gas	848.82	J/mol×K	919.22	Calculated Property
Cp,gas	883.68	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 4,8-dibutyl-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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