Chemical Properties of Furfuryl heptanoate (CAS 39481-28-2)

InChI

InChI=1S/C12H18O3/c1-2-3-4-5-8-12(13)15-10-11-7-6-9-14-11/h6-7,9H,2-5,8,10H2,1H3

InChI Key

VZRGLBPRLIGTPE-UHFFFAOYSA-N

Formula

C12H18O3

SMILES

CCCCCCC(=O)OCc1ccco1

Molecular Weight¹

210.27

CAS

39481-28-2

Other Names

• Heptanoic acid, 2-furanylmethyl ester
• furan-2-ylmethyl heptanoate

• 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.
• I : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-7.88		Crippen Calculated Property
logPoct/wat	3.293		Crippen Calculated Property
McVol	173.790	ml/mol	McGowan Calculated Property
Inp	1443.00		NIST
I	[1950.00; 1950.00]
I	1950.00		NIST
I	1950.00		NIST

Similar Compounds

Find more compounds similar to Furfuryl heptanoate.

Sources

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

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