Chemical Properties of Furfuryl pentanoate (CAS 36701-01-6)

InChI

InChI=1S/C10H14O3/c1-2-3-6-10(11)13-8-9-5-4-7-12-9/h4-5,7H,2-3,6,8H2,1H3

InChI Key

HRYAVTBTUKVHBU-UHFFFAOYSA-N

Formula

C10H14O3

SMILES

CCCCC(=O)OCc1ccco1

Molecular Weight¹

182.22

CAS

36701-01-6

Other Names

• Pentanoic acid, 2-furanylmethyl ester
• Furfuryl valerate

• 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).
• 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	-472.06	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	60.63	kJ/mol	Relay (1.0) Calculated Property
IE	8.70	eV	Relay (1.0) Calculated Property
log10WS	-2.25		Relay (1.0) Calculated Property
logPoct/wat	2.513		Crippen Calculated Property
McVol	145.610	ml/mol	McGowan Calculated Property
Pc	2530.17	kPa	Relay (1.0-beta) Calculated Property
Inp	[1245.00; 1245.00]
Inp	1245.00		NIST
Inp	1245.00		NIST
I	1753.00		NIST
Tboil	500.88	K	Relay (1.0) Calculated Property
Tc	695.75	K	Relay (1.0) Calculated Property
Tfus	232.67	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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 pentanoate.

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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