Chemical Properties of Pentadecafluorooctanoic acid, 2-ethylhexyl ester

InChI

InChI=1S/C16H17F15O2/c1-3-5-6-8(4-2)7-33-9(32)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)31/h8H,3-7H2,1-2H3

InChI Key

LRNRQNCWHBHJOC-UHFFFAOYSA-N

Formula

C16H17F15O2

SMILES

CCCCC(CC)COC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

526.28

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	32.34	kJ/mol	Joback Calculated Property
log10WS	-8.23		Relay (1.0) Calculated Property
logPoct/wat	7.120		Crippen Calculated Property
McVol	270.290	ml/mol	McGowan Calculated Property
Pc	927.81	kPa	Joback Calculated Property
Inp	[1145.00; 1145.00]
Inp	1145.00		NIST
Inp	1145.00		NIST
Tboil	514.01	K	Relay (1.0) Calculated Property
Tfus	251.29	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[804.71; 881.43]	J/mol×K	[589.90; 728.18]
Cp,gas	804.71	J/mol×K	589.90	Joback Calculated Property
Cp,gas	819.71	J/mol×K	612.95	Joback Calculated Property
Cp,gas	833.76	J/mol×K	635.99	Joback Calculated Property
Cp,gas	846.90	J/mol×K	659.04	Joback Calculated Property
Cp,gas	859.20	J/mol×K	682.09	Joback Calculated Property
Cp,gas	870.69	J/mol×K	705.14	Joback Calculated Property
Cp,gas	881.43	J/mol×K	728.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pentadecafluorooctanoic acid, 2-ethylhexyl 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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