Chemical Properties of Pentadecafluorooctanoic acid, decyl ester

InChI

InChI=1S/C18H21F15O2/c1-2-3-4-5-6-7-8-9-10-35-11(34)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)17(29,30)18(31,32)33/h2-10H2,1H3

InChI Key

TXLCFHCFSWGLHL-UHFFFAOYSA-N

Formula

C18H21F15O2

SMILES

CCCCCCCCCCOC(=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

554.33

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-3035.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-3662.55	kJ/mol	Joback Calculated Property
ΔfusH°	39.46	kJ/mol	Joback Calculated Property
ΔvapH°	43.49	kJ/mol	Joback Calculated Property
log10WS	-8.77		Crippen Calculated Property
logPoct/wat	8.044		Crippen Calculated Property
McVol	298.470	ml/mol	McGowan Calculated Property
Pc	844.07	kPa	Joback Calculated Property
Inp	[1468.00; 1468.00]
Inp	1468.00		NIST
Inp	1468.00		NIST
Tboil	653.97	K	Joback Calculated Property
Tc	801.53	K	Joback Calculated Property
Tfus	390.57	K	Joback Calculated Property
Vc	1.260	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[922.74; 1000.68]	J/mol×K	[653.97; 801.53]
Cp,gas	922.74	J/mol×K	653.97	Joback Calculated Property
Cp,gas	937.92	J/mol×K	678.56	Joback Calculated Property
Cp,gas	952.14	J/mol×K	703.16	Joback Calculated Property
Cp,gas	965.45	J/mol×K	727.75	Joback Calculated Property
Cp,gas	977.94	J/mol×K	752.34	Joback Calculated Property
Cp,gas	989.66	J/mol×K	776.94	Joback Calculated Property
Cp,gas	1000.68	J/mol×K	801.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pentadecafluorooctanoic acid, decyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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