Chemical Properties of Biotin, TMS

InChI

InChI=1S/C15H30N2O3SSi2/c1-22(2,3)19-13(18)9-7-8-12-14-11(10-21-12)16-15(17-14)20-23(4,5)6/h11-12,14H,7-10H2,1-6H3,(H,16,17)/t11-,12-,14-/m1/s1

InChI Key

VRTYBBSNSFHHIZ-YRGRVCCFSA-N

Formula

C15H30N2O3SSi2

SMILES

C[Si](C)(C)OC(=O)CCCC1SCC2N=C(O[Si](C)(C)C)NC21

Molecular Weight¹

374.65

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6996		Relay (1.0) Calculated Property
ΔfG°	-110.32	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-809.59	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	99.32	kJ/mol	Relay (1.0) Calculated Property
IE	8.45	eV	Relay (1.0) Calculated Property
log10WS	-2.50		Relay (1.0) Calculated Property
logPoct/wat	3.198		Crippen Calculated Property
Pc	765.43	kPa	Relay (1.0-beta) Calculated Property
Inp	[2494.00; 2494.00]
Inp	2494.00		NIST
Inp	2494.00		NIST
Tboil	599.39	K	Relay (1.0) Calculated Property
Tc	854.07	K	Relay (1.0) Calculated Property
Tfus	389.91	K	Relay (1.0) Calculated Property
Vc	1.102	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Biotin, TMS.

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
• NIST Webbook

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