Chemical Properties of 4,4-Dimethyl-3-thia-1-pentanethiol

InChI

InChI=1S/C6H14S2/c1-6(2,3)8-5-4-7/h7H,4-5H2,1-3H3

InChI Key

WBOABOGBRQWNPV-UHFFFAOYSA-N

Formula

C6H14S2

SMILES

CC(C)(C)SCCS

Molecular Weight¹

150.31

• 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).
• 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	-127.00	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.05	kJ/mol	Joback Calculated Property
ΔvapH°	52.29	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.448		Crippen Calculated Property
McVol	128.100	ml/mol	McGowan Calculated Property
Inp	[1105.00; 1105.00]
Inp	1105.00		NIST
Inp	1105.00		NIST
Tboil	454.16	K	Relay (1.0) Calculated Property
Tfus	211.48	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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	[172.59; 382.30]	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			7.45200e+00
Coefficient B			7.21350e-01
Coefficient C			-4.56600e-04
Coefficient D			1.10100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	172.59	J/mol×K	273.00	Calculated Property
Cp,gas	210.38	J/mol×K	353.78	Calculated Property
Cp,gas	243.73	J/mol×K	434.56	Calculated Property
Cp,gas	273.00	J/mol×K	515.33	Calculated Property
Cp,gas	298.53	J/mol×K	596.11	Calculated Property
Cp,gas	320.67	J/mol×K	676.89	Calculated Property
Cp,gas	339.77	J/mol×K	757.67	Calculated Property
Cp,gas	356.17	J/mol×K	838.44	Calculated Property
Cp,gas	370.24	J/mol×K	919.22	Calculated Property
Cp,gas	382.30	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 4,4-Dimethyl-3-thia-1-pentanethiol.

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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