Chemical Properties of Furan-2-ylmethyl palmitate (CAS 95668-36-3)

InChI

InChI=1S/C21H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-21(22)24-19-20-16-15-18-23-20/h15-16,18H,2-14,17,19H2,1H3

InChI Key

SLLQRHYFOLOLLS-UHFFFAOYSA-N

Formula

C21H36O3

SMILES

CCCCCCCCCCCCCCCC(=O)OCc1ccco1

Molecular Weight¹

336.51

CAS

95668-36-3

• 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	-706.35	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	106.67	kJ/mol	Relay (1.0) Calculated Property
IE	8.92	eV	Relay (1.0) Calculated Property
log10WS	-6.48		Relay (1.0) Calculated Property
logPoct/wat	6.804		Crippen Calculated Property
McVol	300.600	ml/mol	McGowan Calculated Property
Pc	1183.43	kPa	Relay (1.0-beta) Calculated Property
Inp	[2382.00; 2382.00]
Inp	2382.00		NIST
Inp	2382.00		NIST
Tboil	624.98	K	Relay (1.0) Calculated Property
Tc	819.58	K	Relay (1.0) Calculated Property
Tfus	301.05	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 Furan-2-ylmethyl palmitate.

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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