Chemical Properties of trans-Cinnamic acid, 4-hydroxy, 2TMS

InChI

InChI=1S/C15H24O3Si2/c1-19(2,3)17-14-10-7-13(8-11-14)9-12-15(16)18-20(4,5)6/h7-12H,1-6H3/b12-9+

InChI Key

RKLSIGFDXPECDB-FMIVXFBMSA-N

Formula

C15H24O3Si2

SMILES

C[Si](C)(C)OC(=O)C=Cc1ccc(O[Si](C)(C)C)cc1

Molecular Weight¹

308.52

• 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	0.6414		Relay (1.0) Calculated Property
ΔfG°	-166.24	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-701.42	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	75.44	kJ/mol	Relay (1.0) Calculated Property
IE	8.68	eV	Relay (1.0) Calculated Property
log10WS	-3.91		Relay (1.0) Calculated Property
logPoct/wat	4.292		Crippen Calculated Property
Pc	1207.14	kPa	Relay (1.0-beta) Calculated Property
Inp	[1952.00; 1952.00]
Inp	1952.00		NIST
Inp	1952.00		NIST
Tboil	581.75	K	Relay (1.0) Calculated Property
Tc	763.49	K	Relay (1.0) Calculated Property
Tfus	352.65	K	Relay (1.0) Calculated Property
Vc	0.963	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to trans-Cinnamic acid, 4-hydroxy, 2TMS.

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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