Chemical Properties of 2-Furanmethanol, propanoate (CAS 623-19-8)

InChI

InChI=1S/C8H10O3/c1-2-8(9)11-6-7-4-3-5-10-7/h3-5H,2,6H2,1H3

InChI Key

LGBXNZSSTFWRFS-UHFFFAOYSA-N

Formula

C8H10O3

SMILES

CCC(=O)OCc1ccco1

Molecular Weight¹

154.16

CAS

623-19-8

Other Names

• Furfuryl alcohol, propionate
• Furfuryl propionate
• 2-furfuryl propanoate
• Furfuryl alcohol propanoate
• furfuryl-propanoate

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-430.72	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	55.75	kJ/mol	Relay (1.0) Calculated Property
IE	8.72	eV	Relay (1.0) Calculated Property
logPoct/wat	1.733		Crippen Calculated Property
McVol	117.430	ml/mol	McGowan Calculated Property
Inp	[1059.00; 1096.00]
Inp	1096.00		NIST
Inp	1059.00		NIST
Inp	1059.00		NIST
I	[1578.00; 1626.00]
I	1603.00		NIST
I	1602.00		NIST
I	1602.00		NIST
I	1578.00		NIST
I	1578.00		NIST
I	1583.00		NIST
I	1583.00		NIST
I	1583.00		NIST
I	1584.00		NIST
I	1626.00		NIST
I	1620.00		NIST
I	1620.00		NIST
I	1599.00		NIST
I	1620.00		NIST
I	1606.00		NIST
I	1587.00		NIST
I	1599.00		NIST
I	1626.00		NIST
I	1602.00		NIST
Tboil	470.69	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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 2-Furanmethanol, propanoate.

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

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.
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