Chemical Properties of 1,3,5-tris-(Hydroxymethyl) benzene, tris-TMS

InChI

InChI=1S/C18H36O3Si3/c1-22(2,3)19-13-16-10-17(14-20-23(4,5)6)12-18(11-16)15-21-24(7,8)9/h10-12H,13-15H2,1-9H3

InChI Key

PDGOOYABJKELRY-UHFFFAOYSA-N

Formula

C18H36O3Si3

SMILES

C[Si](C)(C)OCc1cc(CO[Si](C)(C)C)cc(CO[Si](C)(C)C)c1

Molecular Weight¹

384.73

• 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	0.7403		Relay (... Calculated Property
ΔfG°	-128.73	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-883.18	kJ/mol	Relay (... Calculated Property
ΔvapH°	76.39	kJ/mol	Relay (... Calculated Property
IE	8.48	eV	Relay (... Calculated Property
log10WS	-3.75		Relay (... Calculated Property
logPoct/wat	5.741		Crippen Calculated Property
Pc	668.69	kPa	Relay (... Calculated Property ⚠️
Inp	[1911.00; 1911.00]
Inp	1911.00		NIST
Inp	1911.00		NIST
Tboil	581.45	K	Relay (... Calculated Property
Tc	779.92	K	Relay (... Calculated Property
Tfus	300.96	K	Relay (... Calculated Property
Vc	1.311	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 1,3,5-tris-(Hydroxymethyl) benzene, tris-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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