Chemical Properties of 2,5,5-trimethyl-4-thiahexane

InChI

InChI=1S/C8H18S/c1-7(2)6-9-8(3,4)5/h7H,6H2,1-5H3

InChI Key

DBPSZFARPWNPRG-UHFFFAOYSA-N

Formula

C8H18S

SMILES

CC(C)CSC(C)(C)C

Molecular Weight¹

146.29

• 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	-181.14	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	9.67	kJ/mol	Joback Calculated Property
ΔvapH°	47.11	kJ/mol	Relay (1.0) Calculated Property
IE	8.07	eV	Relay (1.0) Calculated Property
logPoct/wat	3.174		Crippen Calculated Property
McVol	139.930	ml/mol	McGowan Calculated Property
Inp	[935.00; 935.00]
Inp	935.00		NIST
Inp	935.00		NIST
Inp	935.00		NIST
Inp	935.00		NIST
Tboil	424.88	K	Relay (1.0) Calculated Property
Tfus	196.81	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	[193.92; 460.65]	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			-1.09390e+01
Coefficient B			8.89990e-01
Coefficient C			-5.46200e-04
Coefficient D			1.27800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	193.92	J/mol×K	273.00	Calculated Property
Cp,gas	241.22	J/mol×K	353.78	Calculated Property
Cp,gas	283.15	J/mol×K	434.56	Calculated Property
Cp,gas	320.14	J/mol×K	515.33	Calculated Property
Cp,gas	352.57	J/mol×K	596.11	Calculated Property
Cp,gas	380.86	J/mol×K	676.89	Calculated Property
Cp,gas	405.41	J/mol×K	757.67	Calculated Property
Cp,gas	426.62	J/mol×K	838.44	Calculated Property
Cp,gas	444.90	J/mol×K	919.22	Calculated Property
Cp,gas	460.65	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2,5,5-trimethyl-4-thiahexane.

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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