Chemical Properties of Methyl 8-(2-furyl)octanoate (CAS 38199-50-7)

InChI

InChI=1S/C13H20O3/c1-15-13(14)10-6-4-2-3-5-8-12-9-7-11-16-12/h7,9,11H,2-6,8,10H2,1H3

InChI Key

BEDHFJANVUDDFI-UHFFFAOYSA-N

Formula

C13H20O3

SMILES

COC(=O)CCCCCCCc1ccco1

Molecular Weight¹

224.30

CAS

38199-50-7

Other Names

• Octanoic acid, 8-(2-furyl), methyl ester

• 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.
• 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	-538.44	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	84.01	kJ/mol	Relay (1.0) Calculated Property
IE	8.53	eV	Relay (1.0) Calculated Property
log10WS	-3.37		Relay (1.0) Calculated Property
logPoct/wat	3.336		Crippen Calculated Property
McVol	187.880	ml/mol	McGowan Calculated Property
Pc	2058.15	kPa	Relay (1.0-beta) Calculated Property
Inp	[1619.00; 1629.00]
Inp	1629.00		NIST
Inp	1624.00		NIST
Inp	1619.00		NIST
Inp	1624.00		NIST
Inp	1619.00		NIST
Inp	1629.00		NIST
Tboil	556.61	K	Relay (1.0) Calculated Property
Tc	748.80	K	Relay (1.0) Calculated Property
Tfus	276.55	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 Methyl 8-(2-furyl)octanoate.

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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