Chemical Properties of Benzoic acid, 2-heptyl-6-hydroxy- 9 (2TMS)

InChI

InChI=1S/C20H36O3Si2/c1-8-9-10-11-12-14-17-15-13-16-18(22-24(2,3)4)19(17)20(21)23-25(5,6)7/h13,15-16H,8-12,14H2,1-7H3

InChI Key

OZSNYLACMKGYCN-UHFFFAOYSA-N

Formula

C20H36O3Si2

SMILES

CCCCCCCc1cccc(O[Si](C)(C)C)c1C(=O)O[Si](C)(C)C

Molecular Weight¹

380.67

• 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	0.8889		Relay (... Calculated Property
ΔfG°	-190.06	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-884.98	kJ/mol	Relay (... Calculated Property
ΔvapH°	85.76	kJ/mol	Relay (... Calculated Property
IE	8.90	eV	Relay (... Calculated Property
log10WS	-5.79		Relay (... Calculated Property
logPoct/wat	6.405		Crippen Calculated Property
Pc	518.09	kPa	Relay (... Calculated Property ⚠️
Inp	[2053.30; 2053.30]
Inp	2053.30		NIST
Inp	2053.30		NIST
Tboil	615.67	K	Relay (... Calculated Property
Tc	812.04	K	Relay (... Calculated Property
Tfus	283.08	K	Relay (... Calculated Property
Vc	1.275	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 2-heptyl-6-hydroxy- 9 (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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