Chemical Properties of Nonadecanoic acid, 1,3-bis-(OTMS) propyl ester («beta»-glyceryl nonadecanoate)

InChI

InChI=1S/C28H60O4Si2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28(29)32-27(25-30-33(2,3)4)26-31-34(5,6)7/h27H,8-26H2,1-7H3

InChI Key

VCUOFTYKETZLHD-UHFFFAOYSA-N

Formula

C28H60O4Si2

SMILES

CCCCCCCCCCCCCCCCCCC(=O)OC(CO[Si](C)(C)C)CO[Si](C)(C)C

Molecular Weight¹

516.94

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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.
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1394.29	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	121.94	kJ/mol	Relay (1.0) Calculated Property
log10WS	-7.60		Relay (1.0) Calculated Property
logPoct/wat	9.253		Crippen Calculated Property
Inp	[2864.00; 2868.00]
Inp	2868.00		NIST
Inp	2864.00		NIST
Inp	2868.00		NIST
Tboil	660.10	K	Relay (1.0) Calculated Property
Tc	822.71	K	Relay (1.0) Calculated Property
Tfus	281.25	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, 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 Nonadecanoic acid, 1,3-bis-(OTMS) propyl ester («beta»-glyceryl nonadecanoate).

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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