Chemical Properties of Octadecanoic acid, 3-hydroxy, DTBS

InChI

InChI=1S/C26H52O3Si/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-22-24(27)29-30(28-23,25(2,3)4)26(5,6)7/h23H,8-22H2,1-7H3

InChI Key

FJLNFPMJLDDQKD-UHFFFAOYSA-N

Formula

C26H52O3Si

SMILES

CCCCCCCCCCCCCCCC1CC(=O)O[Si](C(C)(C)C)(C(C)(C)C)O1

Molecular Weight¹

440.78

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1045.79	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	111.64	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	8.842		Crippen Calculated Property
Inp	[2800.00; 2800.00]
Inp	2800.00		NIST
Inp	2800.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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 Octadecanoic acid, 3-hydroxy, DTBS.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.