Chemical Properties of Pentanoic acid, 5-phenyl, TBDMS

InChI

InChI=1S/C17H28O2Si/c1-17(2,3)20(4,5)19-16(18)14-10-9-13-15-11-7-6-8-12-15/h6-8,11-12H,9-10,13-14H2,1-5H3

InChI Key

MERROXWMQCUWEO-UHFFFAOYSA-N

Formula

C17H28O2Si

SMILES

CC(C)(C)[Si](C)(C)OC(=O)CCCCc1ccccc1

Molecular Weight¹

292.49

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
IE	8.83	eV	Relay (1.0) Calculated Property
log10WS	-4.40		Relay (1.0) Calculated Property
logPoct/wat	4.948		Crippen Calculated Property
Pc	1582.63	kPa	Relay (1.0-beta) Calculated Property
Inp	[1836.00; 1871.00]
Inp	1870.00		NIST
Inp	1871.00		NIST
Inp	1836.00		NIST
Inp	1870.00		NIST
Tboil	583.38	K	Relay (1.0) Calculated Property
Tfus	285.84	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to Pentanoic acid, 5-phenyl, 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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