Chemical Properties of Fenoprofen, TBDMS

InChI

InChI=1S/C21H28O3Si/c1-16(20(22)24-25(5,6)21(2,3)4)18-14-10-11-15-19(18)23-17-12-8-7-9-13-17/h7-16H,1-6H3

InChI Key

RTOVOPCSPWPMLK-UHFFFAOYSA-N

Formula

C21H28O3Si

SMILES

CC(C(=O)O[Si](C)(C)C(C)(C)C)c1ccccc1Oc1ccccc1

Molecular Weight¹

356.53

• 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	0.6895		Relay (... Calculated Property
ΔfG°	-74.52	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-560.24	kJ/mol	Relay (... Calculated Property
ΔvapH°	89.53	kJ/mol	Relay (... Calculated Property
IE	7.87	eV	Relay (... Calculated Property
log10WS	-4.95		Relay (... Calculated Property
logPoct/wat	6.131		Crippen Calculated Property
Pc	1691.50	kPa	Relay (... Calculated Property ⚠️
Inp	[2239.90; 2239.90]
Inp	2239.90		NIST
Inp	2239.90		NIST
Tboil	623.81	K	Relay (... Calculated Property
Tc	891.71	K	Relay (... Calculated Property
Tfus	347.38	K	Relay (... Calculated Property
Vc	1.060	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Fenoprofen, TBDMS.

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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