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

InChI

InChI=1S/C31H56O5Si4/c1-32-31-23-26(17-19-29(31)35-39(8,9)10)21-27(24-34-38(5,6)7)28-18-16-25(15-14-20-33-37(2,3)4)22-30(28)36-40(11,12)13/h16-19,22-23,27H,14-15,20-21,24H2,1-13H3

InChI Key

QZBCJZUYLQPEQW-UHFFFAOYSA-N

Formula

C31H56O5Si4

SMILES

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

Molecular Weight¹

621.12

• 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	1.1427		Relay (1.0) Calculated Property
ΔfG°	-150.23	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1296.44	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	115.05	kJ/mol	Relay (1.0) Calculated Property
IE	8.01	eV	Relay (1.0) Calculated Property
log10WS	-6.21		Relay (1.0) Calculated Property
logPoct/wat	9.085		Crippen Calculated Property
Pc	-552.90	kPa	Relay (1.0-beta) Calculated Property
Inp	[2982.00; 2982.00]
Inp	2982.00		NIST
Inp	2982.00		NIST
Tboil	737.97	K	Relay (1.0) Calculated Property
Tc	948.90	K	Relay (1.0) Calculated Property
Tfus	339.87	K	Relay (1.0) Calculated Property
Vc	2.010	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

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