Chemical Properties of Furfuryl isovalerate

InChI

InChI=1S/C10H14O3/c1-8(2)6-10(11)13-7-9-4-3-5-12-9/h3-5,8H,6-7H2,1-2H3

InChI Key

FKGUIBCHHSHJNQ-UHFFFAOYSA-N

Formula

C10H14O3

SMILES

CC(C)CC(=O)OCc1ccco1

Molecular Weight¹

182.22

Other Names

• Furfuryl 3-methylbutanoate
• Furfuryl isovalerate

• 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.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-479.77	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	58.11	kJ/mol	Relay (1.0) Calculated Property
IE	8.63	eV	Relay (1.0) Calculated Property
logPoct/wat	2.369		Crippen Calculated Property
McVol	145.610	ml/mol	McGowan Calculated Property
Inp	[1222.00; 1228.00]
Inp	1223.70		NIST
Inp	1228.00		NIST
Inp	1222.00		NIST
Tboil	466.47	K	Relay (1.0) Calculated Property
Tc	689.35	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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 Furfuryl isovalerate.

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.