Chemical Properties of Heptadecafluorononanoic acid, octyl ester

InChI

InChI=1S/C17H17F17O2/c1-2-3-4-5-6-7-8-36-9(35)10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)16(30,31)17(32,33)34/h2-8H2,1H3

InChI Key

MVFZHZANFQYMQM-UHFFFAOYSA-N

Formula

C17H17F17O2

SMILES

CCCCCCCCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

576.29

• 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°	-3430.71	kJ/mol	Joback Calculated Property
ΔfH°gas	-4042.88	kJ/mol	Joback Calculated Property
ΔfusH°	35.62	kJ/mol	Joback Calculated Property
ΔvapH°	38.34	kJ/mol	Joback Calculated Property
log10WS	-8.66		Crippen Calculated Property
logPoct/wat	7.900		Crippen Calculated Property
McVol	287.920	ml/mol	McGowan Calculated Property
Pc	856.47	kPa	Joback Calculated Property
Inp	[1328.00; 1328.00]
Inp	1328.00		NIST
Inp	1328.00		NIST
Tboil	626.40	K	Joback Calculated Property
Tc	768.32	K	Joback Calculated Property
Tfus	382.90	K	Joback Calculated Property
Vc	1.230	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[885.76; 959.68]	J/mol×K	[626.40; 768.32]
Cp,gas	885.76	J/mol×K	626.40	Joback Calculated Property
Cp,gas	900.30	J/mol×K	650.05	Joback Calculated Property
Cp,gas	913.87	J/mol×K	673.71	Joback Calculated Property
Cp,gas	926.52	J/mol×K	697.36	Joback Calculated Property
Cp,gas	938.34	J/mol×K	721.01	Joback Calculated Property
Cp,gas	949.37	J/mol×K	744.67	Joback Calculated Property
Cp,gas	959.68	J/mol×K	768.32	Joback Calculated Property

Similar Compounds

Find more compounds similar to Heptadecafluorononanoic acid, octyl ester.

Sources

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

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