Chemical Properties of Furfuryl hexanoate (CAS 39252-02-3)

InChI

InChI=1S/C11H16O3/c1-2-3-4-7-11(12)14-9-10-6-5-8-13-10/h5-6,8H,2-4,7,9H2,1H3

InChI Key

IBIDUABZZSJJNF-UHFFFAOYSA-N

Formula

C11H16O3

SMILES

CCCCCC(=O)OCc1ccco1

Molecular Weight¹

196.24

CAS

39252-02-3

Other Names

• Furfuryl n-hexanoate
• Hexanoic acid, 2-furanylmethyl ester
• furan-2-ylmethyl hexanoate

• 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	-7.46		Crippen Calculated Property
logPoct/wat	2.903		Crippen Calculated Property
McVol	159.700	ml/mol	McGowan Calculated Property
Inp	[1343.00; 1368.00]
Inp	1368.00		NIST
Inp	1368.00		NIST
Inp	1343.00		NIST
Inp	1368.00		NIST
I	[1850.00; 1857.00]
I	1857.00		NIST
I	1850.00		NIST

Similar Compounds

Find more compounds similar to Furfuryl hexanoate.

Sources

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

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