Chemical Properties of Pentadecafluorooctanoic acid, 3-methylphenyl ester

InChI

InChI=1S/C15H7F15O2/c1-6-3-2-4-7(5-6)32-8(31)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)30/h2-5H,1H3

InChI Key

LNYMAXSBBHLYDT-UHFFFAOYSA-N

Formula

C15H7F15O2

SMILES

Cc1cccc(OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1

Molecular Weight¹

504.19

• 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°	-2957.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-3375.57	kJ/mol	Joback Calculated Property
ΔfusH°	25.35	kJ/mol	Joback Calculated Property
ΔvapH°	39.75	kJ/mol	Joback Calculated Property
log10WS	-7.32		Crippen Calculated Property
logPoct/wat	6.275		Crippen Calculated Property
McVol	232.440	ml/mol	McGowan Calculated Property
Pc	1241.58	kPa	Joback Calculated Property
Inp	[1218.00; 1218.00]
Inp	1218.00		NIST
Inp	1218.00		NIST
Tboil	616.99	K	Joback Calculated Property
Tc	773.62	K	Joback Calculated Property
Tfus	395.70	K	Joback Calculated Property
Vc	0.985	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[687.37; 746.56]	J/mol×K	[616.99; 773.62]
Cp,gas	687.37	J/mol×K	616.99	Joback Calculated Property
Cp,gas	699.52	J/mol×K	643.09	Joback Calculated Property
Cp,gas	710.65	J/mol×K	669.20	Joback Calculated Property
Cp,gas	720.85	J/mol×K	695.30	Joback Calculated Property
Cp,gas	730.19	J/mol×K	721.41	Joback Calculated Property
Cp,gas	738.73	J/mol×K	747.51	Joback Calculated Property
Cp,gas	746.56	J/mol×K	773.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pentadecafluorooctanoic acid, 3-methylphenyl ester.

Sources

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

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