Chemical Properties of 4-Phenylphenol, tert-butyldimethylsilyl ether

InChI

InChI=1S/C18H24OSi/c1-18(2,3)20(4,5)19-17-13-11-16(12-14-17)15-9-7-6-8-10-15/h6-14H,1-5H3

InChI Key

QHVVCPJMTSSSCN-UHFFFAOYSA-N

Formula

C18H24OSi

SMILES

CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccccc2)cc1

Molecular Weight¹

284.47

Other Names

• 4-Phenylphenol, tbdms derivative

• ω : Acentric Factor.
• 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	0.5302		Relay (1.0) Calculated Property
ΔfH°gas	-191.23	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	82.75	kJ/mol	Relay (1.0) Calculated Property
IE	7.94	eV	Relay (1.0) Calculated Property
log10WS	-5.14		Relay (1.0) Calculated Property
logPoct/wat	5.738		Crippen Calculated Property
Pc	1712.38	kPa	Relay (1.0-beta) Calculated Property
Inp	[2061.90; 2061.90]
Inp	2061.90		NIST
Inp	2061.90		NIST
Tboil	618.52	K	Relay (1.0) Calculated Property
Tc	839.16	K	Relay (1.0) Calculated Property
Tfus	381.05	K	Relay (1.0) Calculated Property
Vc	0.892	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Similar Compounds

Find more compounds similar to 4-Phenylphenol, 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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