Chemical Properties of Butyl 3-furylpropanoate

InChI

InChI=1S/C11H16O3/c1-2-3-7-14-11(12)5-4-10-6-8-13-9-10/h6,8-9H,2-5,7H2,1H3

InChI Key

GKBPVNJYWGTECJ-UHFFFAOYSA-N

Formula

C11H16O3

SMILES

CCCCOC(=O)CCc1ccoc1

Molecular Weight¹

196.24

• ω : Acentric Factor.
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6241		Relay (1.0) Calculated Property
ΔfH°gas	-485.89	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	63.92	kJ/mol	Relay (1.0) Calculated Property
log10WS	-2.42		Relay (1.0) Calculated Property
logPoct/wat	2.555		Crippen Calculated Property
McVol	159.700	ml/mol	McGowan Calculated Property
Pc	2421.95	kPa	Relay (1.0-beta) Calculated Property
Inp	[1354.00; 1354.00]
Inp	1354.00		NIST
Inp	1354.00		NIST
I	[1728.00; 1728.00]
I	1728.00		NIST
I	1728.00		NIST
Tboil	524.25	K	Relay (1.0) Calculated Property
Tc	711.98	K	Relay (1.0) Calculated Property
Tfus	218.51	K	Relay (1.0) Calculated Property
Vc	0.616	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, 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 Butyl 3-furylpropanoate.

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.