Chemical Properties of 5-Acetyl-2-furanmethanol (CAS 55087-82-6)

InChI

InChI=1S/C7H8O3/c1-5(9)7-3-2-6(4-8)10-7/h2-3,8H,4H2,1H3

InChI Key

WPUGXTIOWBWKJY-UHFFFAOYSA-N

Formula

C7H8O3

SMILES

CC(=O)c1ccc(CO)o1

Molecular Weight¹

140.14

CAS

55087-82-6

Other Names

• 1-(5-hydroxymethyl-2-furanyl)-ethanone

• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔvapH°	83.48	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	0.975		Crippen Calculated Property
McVol	103.340	ml/mol	McGowan Calculated Property
I	[2519.00; 2542.00]
I	2542.00		NIST
I	2519.00		NIST
I	2519.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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 5-Acetyl-2-furanmethanol.

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
• McGowan Method
• NIST Webbook

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