Chemical Properties of Amyl furfurylacrylate

InChI

InChI=1S/C12H16O3/c1-2-3-4-9-15-12(13)8-7-11-6-5-10-14-11/h5-8,10H,2-4,9H2,1H3/b8-7+

InChI Key

XMIDBHIKAVTGQN-BQYQJAHWSA-N

Formula

C12H16O3

SMILES

CCCCCOC(=O)C=Cc1ccco1

Molecular Weight¹

208.25

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-445.76	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	70.36	kJ/mol	Relay (1.0) Calculated Property
log10WS	-3.74		Relay (1.0) Calculated Property
logPoct/wat	3.026		Crippen Calculated Property
McVol	169.490	ml/mol	McGowan Calculated Property
Pc	2394.95	kPa	Relay (1.0-beta) Calculated Property
Inp	[1544.00; 1544.00]
Inp	1544.00		NIST
Inp	1544.00		NIST
I	2153.00		NIST
Tboil	542.85	K	Relay (1.0) Calculated Property
Tfus	265.56	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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 Amyl furfurylacrylate.

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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