Chemical Properties of tert-Butyldimethylsilyl cyclohexyl phthalate

InChI

InChI=1S/C20H30O4Si/c1-20(2,3)25(4,5)24-19(22)17-14-10-9-13-16(17)18(21)23-15-11-7-6-8-12-15/h9-10,13-15H,6-8,11-12H2,1-5H3

InChI Key

ALPPAKZSBMNTSE-UHFFFAOYSA-N

Formula

C20H30O4Si

SMILES

CC(C)(C)[Si](C)(C)OC(=O)c1ccccc1C(=O)OC1CCCCC1

Molecular Weight¹

362.54

Other Names

• 1,2-Benzenedicarboxylic acid, cyclohexyl tert-butyldimethylsilyl ester

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-895.26	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	89.23	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	5.338		Crippen Calculated Property
Inp	[2348.00; 2348.00]
Inp	2348.00		NIST
Inp	2348.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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 tert-Butyldimethylsilyl cyclohexyl phthalate.

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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