Chemical Properties of Benzenepropanol, 3-hydroxy-4-(2-hydroxy-1-hydroxymethyl-2-(4-hydroxy-3-methoxyphenyl))ethyl, pentakis-TMS

InChI

InChI=1S/C34H64O6Si5/c1-35-33-25-28(20-22-31(33)38-43(8,9)10)34(40-45(14,15)16)30(26-37-42(5,6)7)29-21-19-27(18-17-23-36-41(2,3)4)24-32(29)39-44(11,12)13/h19-22,24-25,30,34H,17-18,23,26H2,1-16H3

InChI Key

XOFWZOFABWVTIV-UHFFFAOYSA-N

Formula

C34H64O6Si5

SMILES

COc1cc(C(O[Si](C)(C)C)C(CO[Si](C)(C)C)c2ccc(CCCO[Si](C)(C)C)cc2O[Si](C)(C)C)ccc1O[Si](C)(C)C

Molecular Weight¹

709.30

• 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	1.2006		Relay (... Calculated Property
ΔfG°	-246.51	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-1572.04	kJ/mol	Relay (... Calculated Property
ΔvapH°	114.26	kJ/mol	Relay (... Calculated Property
IE	8.02	eV	Relay (... Calculated Property
log10WS	-6.10		Relay (... Calculated Property
logPoct/wat	10.435		Crippen Calculated Property
Pc	-965.77	kPa	Relay (... Calculated Property ⚠️
Inp	[2901.00; 2901.00]
Inp	2901.00		NIST
Inp	2901.00		NIST
Tboil	748.49	K	Relay (... Calculated Property
Tc	968.49	K	Relay (... Calculated Property
Tfus	340.65	K	Relay (... Calculated Property
Vc	2.291	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Benzenepropanol, 3-hydroxy-4-(2-hydroxy-1-hydroxymethyl-2-(4-hydroxy-3-methoxyphenyl))ethyl, pentakis-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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