Chemical Properties of 16-hydroxyhexadecanoic acid, TMSi ester TMSi ether

InChI

InChI=1S/C22H48O3Si2/c1-26(2,3)24-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22(23)25-27(4,5)6/h7-21H2,1-6H3

InChI Key

JXIYCGGDBJPJJT-UHFFFAOYSA-N

Formula

C22H48O3Si2

SMILES

C[Si](C)(C)OCCCCCCCCCCCCCCCC(=O)O[Si](C)(C)C

Molecular Weight¹

416.79

• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔvapH°	103.30	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.15		Relay (1.0) Calculated Property
logPoct/wat	7.677		Crippen Calculated Property
Pc	308.74	kPa	Relay (1.0-beta) Calculated Property
Inp	[2390.00; 2390.00]
Inp	2390.00		NIST
Inp	2390.00		NIST
Tboil	607.01	K	Relay (1.0) Calculated Property
Tfus	289.75	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to 16-hydroxyhexadecanoic acid, TMSi ester TMSi ether.

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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