Chemical Properties of n-Amyl furylpropionate

InChI

InChI=1S/C12H18O3/c1-2-3-4-9-15-12(13)8-7-11-6-5-10-14-11/h5-6,10H,2-4,7-9H2,1H3

InChI Key

MRNLJBGPIOBGFP-UHFFFAOYSA-N

Formula

C12H18O3

SMILES

CCCCCOC(=O)CCc1ccco1

Molecular Weight¹

210.27

Other Names

• Amyl furfuryl propionate

• 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_c : Critical 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	-525.10	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	67.69	kJ/mol	Relay (1.0) Calculated Property
log10WS	-2.74		Relay (1.0) Calculated Property
logPoct/wat	2.946		Crippen Calculated Property
McVol	173.790	ml/mol	McGowan Calculated Property
Pc	2252.83	kPa	Relay (1.0-beta) Calculated Property
Inp	[1453.00; 1453.00]
Inp	1453.00		NIST
Inp	1453.00		NIST
I	1947.00		NIST
Tboil	536.41	K	Relay (1.0) Calculated Property
Tc	721.32	K	Relay (1.0) Calculated Property
Tfus	240.18	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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 n-Amyl furylpropionate.

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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