Chemical Properties of DL-6-Thioctic amide

InChI

InChI=1S/C8H15NOS2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H2,9,10)

InChI Key

FCCDDURTIIUXBY-UHFFFAOYSA-N

Formula

C8H15NOS2

SMILES

NC(=O)CCCCC1CCSS1

Molecular Weight¹

205.35

Other Names

• 1,2-Dithiolane-3-pentanamide
• 1,2-Dithiolane-3-valeramide
• Lipamide
• «alpha»-Lipamide
• Lipoacin
• Lipoamid
• «alpha»-Lipoamide
• «alpha»-Lipoic acid amide
• Lipoicin
• Lipozyme
• Lypoaran
• Pathoclon
• Thioami
• Thioctamid
• Thioctamide
• Thioctic acid amide
• Thiotomin
• Ticolin
• 6-Thioctic acid amide
• 5-(1,2)Dithiolan-3-yl-pentanoic acid amide
• 5-(1,2-Dithiolan-3-yl)valeramide
• Vitamin N

• 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

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	[212.34; 493.00]	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			-7.37600e+00
Coefficient B			9.58220e-01
Coefficient C			-6.00900e-04
Coefficient D			1.43060e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	212.34	J/mol×K	273.00	Calculated Property
Cp,gas	262.75	J/mol×K	353.78	Calculated Property
Cp,gas	307.29	J/mol×K	434.56	Calculated Property
Cp,gas	346.43	J/mol×K	515.33	Calculated Property
Cp,gas	380.60	J/mol×K	596.11	Calculated Property
Cp,gas	410.28	J/mol×K	676.89	Calculated Property
Cp,gas	435.91	J/mol×K	757.67	Calculated Property
Cp,gas	457.93	J/mol×K	838.44	Calculated Property
Cp,gas	476.82	J/mol×K	919.22	Calculated Property
Cp,gas	493.00	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to DL-6-Thioctic amide.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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