Chemical Properties of 4-Fluorobenzoic acid, 4-methoxy-2-methylbutyl ester

InChI

InChI=1S/C13H17FO3/c1-10(7-8-16-2)9-17-13(15)11-3-5-12(14)6-4-11/h3-6,10H,7-9H2,1-2H3

InChI Key

FCJKKYMBKHVZQL-UHFFFAOYSA-N

Formula

C13H17FO3

SMILES

COCCC(C)COC(=O)c1ccc(F)cc1

Molecular Weight¹

240.27

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• 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°	26.61	kJ/mol	Joback Calculated Property
logPoct/wat	2.655		Crippen Calculated Property
McVol	185.350	ml/mol	McGowan Calculated Property
Inp	[1657.00; 1657.00]
Inp	1657.00		NIST
Inp	1657.00		NIST
Tboil	566.90	K	Relay (1.0) Calculated Property
Tfus	255.93	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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	[477.93; 555.60]	J/mol×K	[626.04; 823.10]
Cp,gas	477.93	J/mol×K	626.04	Joback Calculated Property
Cp,gas	492.83	J/mol×K	658.88	Joback Calculated Property
Cp,gas	506.94	J/mol×K	691.73	Joback Calculated Property
Cp,gas	520.26	J/mol×K	724.57	Joback Calculated Property
Cp,gas	532.81	J/mol×K	757.41	Joback Calculated Property
Cp,gas	544.59	J/mol×K	790.26	Joback Calculated Property
Cp,gas	555.60	J/mol×K	823.10	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Fluorobenzoic acid, 4-methoxy-2-methylbutyl 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.