Chemical Properties of (.+/-.)-2-Phenylbutyric acid, benzyldimethylsilyl ester

InChI

InChI=1S/C19H24O2Si/c1-4-18(17-13-9-6-10-14-17)19(20)21-22(2,3)15-16-11-7-5-8-12-16/h5-14,18H,4,15H2,1-3H3

InChI Key

GYCDTBLOZFHPMC-UHFFFAOYSA-N

Formula

C19H24O2Si

SMILES

CCC(C(=O)O[Si](C)(C)Cc1ccccc1)c1ccccc1

Molecular Weight¹

312.48

• 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	0.6261		Relay (1.0) Calculated Property
ΔfG°	27.27	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-379.06	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	92.45	kJ/mol	Relay (1.0) Calculated Property
IE	8.55	eV	Relay (1.0) Calculated Property
log10WS	-4.29		Relay (1.0) Calculated Property
logPoct/wat	4.710		Crippen Calculated Property
Pc	1437.13	kPa	Relay (1.0-beta) Calculated Property
Inp	[2025.00; 2025.00]
Inp	2025.00		NIST
Inp	2025.00		NIST
Tboil	619.48	K	Relay (1.0) Calculated Property
Tc	860.93	K	Relay (1.0) Calculated Property
Tfus	327.07	K	Relay (1.0) Calculated Property
Vc	0.954	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to (.+/-.)-2-Phenylbutyric acid, benzyldimethylsilyl ester.

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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