Chemical Properties of Glutaric acid, 2-fluorophenyl phenethyl ester

InChI

InChI=1S/C19H19FO4/c20-16-9-4-5-10-17(16)24-19(22)12-6-11-18(21)23-14-13-15-7-2-1-3-8-15/h1-5,7-10H,6,11-14H2

InChI Key

ACYRBLYKPHFCJK-UHFFFAOYSA-N

Formula

C19H19FO4

SMILES

O=C(CCCC(=O)Oc1ccccc1F)OCCc1ccccc1

Molecular Weight¹

330.35

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	44.48	kJ/mol	Joback Calculated Property
ΔvapH°	108.93	kJ/mol	Relay (1.0) Calculated Property
IE	8.40	eV	Relay (1.0) Calculated Property
logPoct/wat	3.687		Crippen Calculated Property
McVol	247.700	ml/mol	McGowan Calculated Property
Inp	[2459.00; 2459.00]
Inp	2459.00		NIST
Inp	2459.00		NIST
Tboil	648.08	K	Relay (1.0) Calculated Property
Tfus	308.75	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[722.50; 787.80]	J/mol×K	[808.37; 1023.37]
Cp,gas	722.50	J/mol×K	808.37	Joback Calculated Property
Cp,gas	736.45	J/mol×K	844.20	Joback Calculated Property
Cp,gas	749.13	J/mol×K	880.04	Joback Calculated Property
Cp,gas	760.57	J/mol×K	915.87	Joback Calculated Property
Cp,gas	770.80	J/mol×K	951.70	Joback Calculated Property
Cp,gas	779.87	J/mol×K	987.54	Joback Calculated Property
Cp,gas	787.80	J/mol×K	1023.37	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-fluorophenyl phenethyl ester.

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
• Joback 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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