Chemical Properties of (E)-But-2-enyl tert-butyldimethylsilyl phthalate

InChI

InChI=1S/C18H26O4Si/c1-7-8-13-21-16(19)14-11-9-10-12-15(14)17(20)22-23(5,6)18(2,3)4/h7-12H,13H2,1-6H3/b8-7+

InChI Key

IONACWMXEPODFB-BQYQJAHWSA-N

Formula

C18H26O4Si

SMILES

CC=CCOC(=O)c1ccccc1C(=O)O[Si](C)(C)C(C)(C)C

Molecular Weight¹

334.48

Other Names

• 1,2-Benzenedicarboxylic acid, (E)-but-2-enyl tert-butyldimethylsilyl ester

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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
ΔfH°gas	-797.75	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	81.26	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.36		Relay (1.0) Calculated Property
logPoct/wat	4.582		Crippen Calculated Property
Pc	1310.17	kPa	Relay (1.0-beta) Calculated Property
Inp	[2077.00; 2077.00]
Inp	2077.00		NIST
Inp	2077.00		NIST
Tboil	603.83	K	Relay (1.0) Calculated Property
Tfus	287.23	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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 (E)-But-2-enyl tert-butyldimethylsilyl 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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