Chemical Properties of Nonanoic acid, 3,5-difluophenyl ester

InChI

InChI=1S/C15H20F2O2/c1-2-3-4-5-6-7-8-15(18)19-14-10-12(16)9-13(17)11-14/h9-11H,2-8H2,1H3

InChI Key

ZAMWNNRSUXVQFL-UHFFFAOYSA-N

Formula

C15H20F2O2

SMILES

CCCCCCCCC(=O)Oc1cc(F)cc(F)c1

Molecular Weight¹

270.32

Other Names

• Nonoic acid, 3,5-difluophenyl ester

• 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).
• 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	-811.14	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.40	kJ/mol	Joback Calculated Property
ΔvapH°	76.93	kJ/mol	Relay (1.0) Calculated Property
log10WS	-5.94		Relay (1.0) Calculated Property
logPoct/wat	4.621		Crippen Calculated Property
McVol	209.430	ml/mol	McGowan Calculated Property
Pc	1676.91	kPa	Joback Calculated Property
Inp	[1697.00; 1697.00]
Inp	1697.00		NIST
Inp	1697.00		NIST
Tboil	549.55	K	Relay (1.0) Calculated Property
Tc	758.35	K	Relay (1.0) Calculated Property
Tfus	288.70	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[555.81; 636.27]	J/mol×K	[636.20; 818.28]
Cp,gas	555.81	J/mol×K	636.20	Joback Calculated Property
Cp,gas	571.16	J/mol×K	666.55	Joback Calculated Property
Cp,gas	585.72	J/mol×K	696.89	Joback Calculated Property
Cp,gas	599.49	J/mol×K	727.24	Joback Calculated Property
Cp,gas	612.49	J/mol×K	757.59	Joback Calculated Property
Cp,gas	624.75	J/mol×K	787.93	Joback Calculated Property
Cp,gas	636.27	J/mol×K	818.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to Nonanoic acid, 3,5-difluophenyl 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.
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