Chemical Properties of Succinic acid, 4-fluorobenzyl nonyl ester

InChI

InChI=1S/C20H29FO4/c1-2-3-4-5-6-7-8-15-24-19(22)13-14-20(23)25-16-17-9-11-18(21)12-10-17/h9-12H,2-8,13-16H2,1H3

InChI Key

JIMUGHIWLLYHCP-UHFFFAOYSA-N

Formula

C20H29FO4

SMILES

CCCCCCCCCOC(=O)CCC(=O)OCc1ccc(F)cc1

Molecular Weight¹

352.44

• 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).
• 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	-1016.89	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	49.86	kJ/mol	Joback Calculated Property
ΔvapH°	103.17	kJ/mol	Relay (1.0) Calculated Property
IE	8.78	eV	Relay (1.0) Calculated Property
log10WS	-5.67		Relay (1.0) Calculated Property
logPoct/wat	4.943		Crippen Calculated Property
McVol	285.550	ml/mol	McGowan Calculated Property
Pc	1298.60	kPa	Joback Calculated Property
Inp	[2430.00; 2430.00]
Inp	2430.00		NIST
Inp	2430.00		NIST
Tboil	635.29	K	Relay (1.0) Calculated Property
Tc	819.71	K	Relay (1.0) Calculated Property
Tfus	288.67	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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[885.09; 963.58]	J/mol×K	[840.51; 1036.82]
Cp,gas	885.09	J/mol×K	840.51	Joback Calculated Property
Cp,gas	900.82	J/mol×K	873.23	Joback Calculated Property
Cp,gas	915.47	J/mol×K	905.95	Joback Calculated Property
Cp,gas	929.04	J/mol×K	938.67	Joback Calculated Property
Cp,gas	941.57	J/mol×K	971.38	Joback Calculated Property
Cp,gas	953.08	J/mol×K	1004.10	Joback Calculated Property
Cp,gas	963.58	J/mol×K	1036.82	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 4-fluorobenzyl nonyl ester.

Sources

• Cheméo Relay (1.0)
• 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.