Chemical Properties of Cinnamic acid, 3,5-dimethoxy-4-(trimethylsiloxy)-, trimethylsilyl ester (CAS 27750-80-7)

InChI

InChI=1S/C17H28O5Si2/c1-19-14-11-13(9-10-16(18)21-23(3,4)5)12-15(20-2)17(14)22-24(6,7)8/h9-12H,1-8H3/b10-9+

InChI Key

LKLXWSPPLVNURP-MDZDMXLPSA-N

Formula

C17H28O5Si2

SMILES

COc1cc(C=CC(=O)O[Si](C)(C)C)cc(OC)c1O[Si](C)(C)C

Molecular Weight¹

368.57

CAS

27750-80-7

Other Names

• Cinnamic acid, 4-hydroxy-3,5-dimethoxy, bis-TMS
• Sinapic acid, bis-TMS
• Sinapic acid, TMS
• SINAPINIC ACID (2TMS)
• 2-Propenoic acid, 3-[3,5-dimethoxy-4-[(trimethylsilyl)oxy]phenyl]-, trimethylsilyl ester
• Trimethylsilyl 3-(3,5-dimethoxy-4-[(trimethylsilyl)oxy]phenyl)-2-propenoate
• Sinapinic acid, TMS
• (E)-Sinapic acid, TMS
• (Z)-Sinapic acid, TMS
• Sinapic acid, O,O'-di(trimethylsilyl)-
• Cinnamic acid, 3,5-dimethoxy-4-hydroxy, bis-TMS
• cis-Sinapic acid, TMS
• trans-Sinapic acid, TMS
• Sinapinic acid, 2tms 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	0.8105		Relay (1.0) Calculated Property
ΔfG°	-355.54	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-967.42	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	84.05	kJ/mol	Relay (1.0) Calculated Property
IE	8.23	eV	Relay (1.0) Calculated Property
log10WS	-3.67		Relay (1.0) Calculated Property
logPoct/wat	4.309		Crippen Calculated Property
Pc	747.24	kPa	Relay (1.0-beta) Calculated Property
Inp	[2242.20; 2275.00]
Inp	2261.00		NIST
Inp	2267.00		NIST
Inp	2272.00		NIST
Inp	2275.00		NIST
Inp	2275.00		NIST
Inp	2257.00		NIST
Inp	2260.00		NIST
Inp	2267.00		NIST
Inp	2267.00		NIST
Inp	2249.00		NIST
Inp	2249.00		NIST
Inp	Outlier 2242.20		NIST
Inp	2259.00		NIST
Inp	2275.00		NIST
Inp	2259.00		NIST
Inp	2273.00		NIST
Inp	2261.00		NIST
Inp	2257.00		NIST
Inp	2249.00		NIST
Inp	2273.00		NIST
Tboil	606.23	K	Relay (1.0) Calculated Property
Tc	803.42	K	Relay (1.0) Calculated Property
Tfus	381.37	K	Relay (1.0) Calculated Property
Vc	1.109	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Cinnamic acid, 3,5-dimethoxy-4-(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.