Chemical Properties of Furan-2-ylmethyl palmitate (CAS 95668-36-3)

InChI

InChI=1S/C21H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-21(22)24-19-20-16-15-18-23-20/h15-16,18H,2-14,17,19H2,1H3

InChI Key

SLLQRHYFOLOLLS-UHFFFAOYSA-N

Formula

C21H36O3

SMILES

CCCCCCCCCCCCCCCC(=O)OCc1ccco1

Molecular Weight¹

336.51

CAS

95668-36-3

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-11.64		Crippen Calculated Property
logPoct/wat	6.804		Crippen Calculated Property
McVol	300.600	ml/mol	McGowan Calculated Property
Inp	[2382.00; 2382.00]
Inp	2382.00		NIST
Inp	2382.00		NIST

Similar Compounds

Find more compounds similar to Furan-2-ylmethyl palmitate.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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