Chemical Properties of Zearalenone, bis(tert-butyldimethylsilyl) ether

InChI

InChI=1S/C30H50O5Si2/c1-22-16-15-19-24(31)18-14-12-13-17-23-20-25(34-36(8,9)29(2,3)4)21-26(27(23)28(32)33-22)35-37(10,11)30(5,6)7/h13,17,20-22H,12,14-16,18-19H2,1-11H3/b17-13+

InChI Key

DDFOYELSEGYRFS-GHRIWEEISA-N

Formula

C30H50O5Si2

SMILES

CC1CCCC(=O)CCCC=Cc2cc(O[Si](C)(C)C(C)(C)C)cc(O[Si](C)(C)C(C)(C)C)c2C(=O)O1

Molecular Weight¹

546.89

Other Names

• Zearalenone, 2tbdms derivative

• 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	0.8682		Relay (1.0) Calculated Property
ΔfG°	-217.90	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1251.65	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	107.76	kJ/mol	Relay (1.0) Calculated Property
IE	7.60	eV	Relay (1.0) Calculated Property
log10WS	-6.59		Relay (1.0) Calculated Property
logPoct/wat	8.936		Crippen Calculated Property
Pc	181.77	kPa	Relay (1.0-beta) Calculated Property
Inp	[3331.00; 3331.00]
Inp	3331.00		NIST
Inp	3331.00		NIST
Tboil	780.00	K	Relay (1.0) Calculated Property
Tc	1030.69	K	Relay (1.0) Calculated Property
Tfus	410.99	K	Relay (1.0) Calculated Property
Vc	1.628	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Zearalenone, bis(tert-butyldimethylsilyl) ether.

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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