Chemical Properties of Benzoic acid, 3,4,5-tris(trimethylsiloxy)-, trimethylsilyl ester (CAS 2078-17-3)

InChI

InChI=1S/C19H38O5Si4/c1-25(2,3)21-16-13-15(19(20)24-28(10,11)12)14-17(22-26(4,5)6)18(16)23-27(7,8)9/h13-14H,1-12H3

InChI Key

KCIFUQKNKZTHGI-UHFFFAOYSA-N

Formula

C19H38O5Si4

SMILES

C[Si](C)(C)OC(=O)c1cc(O[Si](C)(C)C)c(O[Si](C)(C)C)c(O[Si](C)(C)C)c1

Molecular Weight¹

458.84

CAS

2078-17-3

Other Names

• Gallic acid, tetraTMS
• Gallic acid, TMS
• Benzoic acid, 3,4,5-tris-trimethylsilyloxy, trimethylsilyl ester
• Gallic acid, 4tms derivative

• 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	0.8844		Relay (... Calculated Property
ΔfG°	-437.95	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1331.26	kJ/mol	Relay (... Calculated Property
ΔvapH°	74.05	kJ/mol	Relay (... Calculated Property
IE	9.03	eV	Relay (... Calculated Property
log10WS	-4.56		Relay (... Calculated Property
logPoct/wat	6.319		Crippen Calculated Property
Pc	82.64	kPa	Relay (... Calculated Property ⚠️
Inp	[1962.00; 1995.00]
Inp	1987.00		NIST
Inp	1990.00		NIST
Inp	1991.00		NIST
Inp	1991.00		NIST
Inp	1991.00		NIST
Inp	1994.00		NIST
Inp	1994.00		NIST
Inp	1995.00		NIST
Inp	Outlier 1962.00		NIST
Inp	Outlier 1962.00		NIST
Inp	1984.00		NIST
Inp	1991.00		NIST
Inp	1978.00		NIST
Inp	1986.00		NIST
Inp	1983.00		NIST
Inp	1976.00		NIST
Inp	1978.60		NIST
Inp	1983.00		NIST
Inp	1981.00		NIST
Inp	1987.00		NIST
Inp	1994.00		NIST
Inp	1984.00		NIST
Inp	1976.00		NIST
Inp	1983.00		NIST
Inp	1978.60		NIST
Tboil	596.20	K	Relay (... Calculated Property
Tc	808.66	K	Relay (... Calculated Property
Tfus	344.79	K	Relay (... Calculated Property
Vc	1.500	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 3,4,5-tris(trimethylsiloxy)-, trimethylsilyl 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.