Chemical Properties of Succinic acid, 2-fluorophenyl 4-heptyl ester

InChI

InChI=1S/C17H23FO4/c1-3-7-13(8-4-2)21-16(19)11-12-17(20)22-15-10-6-5-9-14(15)18/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3

InChI Key

VQJBLPGAZBVGDX-UHFFFAOYSA-N

Formula

C17H23FO4

SMILES

CCCC(CCC)OC(=O)CCC(=O)Oc1ccccc1F

Molecular Weight¹

310.36

• 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°	38.57	kJ/mol	Joback Calculated Property
logPoct/wat	4.023		Crippen Calculated Property
McVol	243.280	ml/mol	McGowan Calculated Property
Inp	[2008.00; 2008.00]
Inp	2008.00		NIST
Inp	2008.00		NIST
Tboil	586.70	K	Relay (1.0) Calculated Property
Tfus	269.00	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	[712.53; 788.46]	J/mol×K	[771.43; 968.49]
Cp,gas	712.53	J/mol×K	771.43	Joback Calculated Property
Cp,gas	727.61	J/mol×K	804.27	Joback Calculated Property
Cp,gas	741.70	J/mol×K	837.12	Joback Calculated Property
Cp,gas	754.82	J/mol×K	869.96	Joback Calculated Property
Cp,gas	766.97	J/mol×K	902.80	Joback Calculated Property
Cp,gas	778.18	J/mol×K	935.65	Joback Calculated Property
Cp,gas	788.46	J/mol×K	968.49	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-fluorophenyl 4-heptyl 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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