Chemical Properties of Biotin

InChI

InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1

InChI Key

YBJHBAHKTGYVGT-ZKWXMUAHSA-N

Formula

C10H16N2O3S

SMILES

O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

Molecular Weight¹

244.32

Other Names

• (+)-Biotin
• (3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-valeric acid
• 1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, (3aS,4S,6aR)-
• 1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, [3as-(3a«alpha»,4«beta»,6a«alpha»)]-
• 5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid
• Biodermatin
• Bioepiderm
• Bios II
• Coenzyme R
• D(+)-Biotin
• D-(+)-Biotin
• Factor S
• Factor S (vitamin)
• Injacom H
• NSC 63865
• Vitamin B7
• Vitamin H
• d-Biotin

• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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	[241.97; 603.61]	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			-1.42960e+01
Coefficient B			1.08001e+00
Coefficient C			-5.38500e-04
Coefficient D			7.64000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	241.97	J/mol×K	273.00	Calculated Property
Cp,gas	303.77	J/mol×K	353.78	Calculated Property
Cp,gas	359.61	J/mol×K	434.56	Calculated Property
Cp,gas	409.72	J/mol×K	515.33	Calculated Property
Cp,gas	454.34	J/mol×K	596.11	Calculated Property
Cp,gas	493.72	J/mol×K	676.89	Calculated Property
Cp,gas	528.09	J/mol×K	757.67	Calculated Property
Cp,gas	557.70	J/mol×K	838.44	Calculated Property
Cp,gas	582.80	J/mol×K	919.22	Calculated Property
Cp,gas	603.61	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Biotin.

Mixtures

• Methyl Alcohol + Biotin
• Ethanol + Biotin
• Acetic acid + Biotin
• Formamide, N,N-dimethyl- + Biotin
• Dimethyl Sulfoxide + Biotin
• Water + Biotin

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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
• Experimental Measurement and Modeling of the Solubility of Biotin in Six Pure Solvents at Temperatures from 298.15 K to 333.85 K
• 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.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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