Chemical Properties of Sebacic acid, di(2-fluorophenyl) ester

InChI

InChI=1S/C22H24F2O4/c23-17-11-7-9-13-19(17)27-21(25)15-5-3-1-2-4-6-16-22(26)28-20-14-10-8-12-18(20)24/h7-14H,1-6,15-16H2

InChI Key

RLEYAIOAAQGFIC-UHFFFAOYSA-N

Formula

C22H24F2O4

SMILES

O=C(CCCCCCCCC(=O)Oc1ccccc1F)Oc1ccccc1F

Molecular Weight¹

390.42

• 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).
• 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°	54.94	kJ/mol	Joback Calculated Property
ΔvapH°	117.58	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	5.597		Crippen Calculated Property
McVol	291.740	ml/mol	McGowan Calculated Property
Inp	[2843.00; 2843.00]
Inp	2843.00		NIST
Inp	2843.00		NIST
Tboil	650.22	K	Relay (1.0) Calculated Property
Tfus	353.19	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, 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	[900.14; 963.46]	J/mol×K	[881.26; 1089.74]
Cp,gas	900.14	J/mol×K	881.26	Joback Calculated Property
Cp,gas	913.80	J/mol×K	916.01	Joback Calculated Property
Cp,gas	926.17	J/mol×K	950.75	Joback Calculated Property
Cp,gas	937.28	J/mol×K	985.50	Joback Calculated Property
Cp,gas	947.18	J/mol×K	1020.25	Joback Calculated Property
Cp,gas	955.89	J/mol×K	1054.99	Joback Calculated Property
Cp,gas	963.46	J/mol×K	1089.74	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, di(2-fluorophenyl) 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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