Chemical Properties of Benzenepropanoic acid, 3-hydroxy-4-methoxy, TMS

InChI

InChI=1S/C16H28O4Si2/c1-18-14-10-8-13(12-15(14)19-21(2,3)4)9-11-16(17)20-22(5,6)7/h8,10,12H,9,11H2,1-7H3

InChI Key

OZSXDGVSWVHMQS-UHFFFAOYSA-N

Formula

C16H28O4Si2

SMILES

COc1ccc(CCC(=O)O[Si](C)(C)C)cc1O[Si](C)(C)C

Molecular Weight¹

340.56

• 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	0.7725		Relay (... Calculated Property
ΔfG°	-305.26	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-916.49	kJ/mol	Relay (... Calculated Property
ΔvapH°	80.97	kJ/mol	Relay (... Calculated Property
IE	8.21	eV	Relay (... Calculated Property
log10WS	-3.33		Relay (... Calculated Property
logPoct/wat	4.220		Crippen Calculated Property
Pc	926.26	kPa	Relay (... Calculated Property ⚠️
Inp	[1872.00; 1872.00]
Inp	1872.00		NIST
Inp	1872.00		NIST
Tboil	593.32	K	Relay (... Calculated Property
Tc	779.65	K	Relay (... Calculated Property
Tfus	322.19	K	Relay (... Calculated Property
Vc	1.077	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Benzenepropanoic acid, 3-hydroxy-4-methoxy, TMS.

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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