Chemical Properties of Succinic acid, 2-fluorophenyl 3-methylbutyl ester

InChI

InChI=1S/C15H19FO4/c1-11(2)9-10-19-14(17)7-8-15(18)20-13-6-4-3-5-12(13)16/h3-6,11H,7-10H2,1-2H3

InChI Key

ZCMRKBOLILUOTD-UHFFFAOYSA-N

Formula

C15H19FO4

SMILES

CC(C)CCOC(=O)CCC(=O)Oc1ccccc1F

Molecular Weight¹

282.31

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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_c : Critical Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-933.74	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.55	kJ/mol	Joback Calculated Property
ΔvapH°	85.70	kJ/mol	Relay (1.0) Calculated Property
log10WS	-3.84		Relay (1.0) Calculated Property
logPoct/wat	3.101		Crippen Calculated Property
McVol	215.100	ml/mol	McGowan Calculated Property
Inp	[1875.00; 1875.00]
Inp	1875.00		NIST
Inp	1875.00		NIST
Tboil	573.78	K	Relay (1.0) Calculated Property
Tc	777.67	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[591.70; 666.78]	J/mol×K	[689.73; 885.03]
Cp,gas	591.70	J/mol×K	689.73	Joback Calculated Property
Cp,gas	606.61	J/mol×K	722.28	Joback Calculated Property
Cp,gas	620.54	J/mol×K	754.83	Joback Calculated Property
Cp,gas	633.51	J/mol×K	787.38	Joback Calculated Property
Cp,gas	645.54	J/mol×K	819.93	Joback Calculated Property
Cp,gas	656.62	J/mol×K	852.48	Joback Calculated Property
Cp,gas	666.78	J/mol×K	885.03	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-fluorophenyl 3-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.
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