Chemical Properties of Pentadecafluorooctanoic acid (CAS 335-67-1)

InChI

InChI=1S/C8HF15O2/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23/h(H,24,25)

InChI Key

SNGREZUHAYWORS-UHFFFAOYSA-N

Formula

C8HF15O2

SMILES

O=C(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

414.07

CAS

335-67-1

Other Names

• 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctanoic acid
• 65618-66-8
• 71244-15-0
• Fluorad FC-26
• Hexanoyl fluoride, 3,3,4,4,5,5,6,6,6-nonafluoro-2-oxo-
• NSC 95114
• Octanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-
• Octanoic acid, pentadecafluoro-
• PFOA
• Pentadecafluoro-1-octanoic acid
• Pentadecafluoro-n-octanoic acid
• Perfluoro-n-octanoic acid
• Perfluorocaprylic acid
• Perfluoroctanoic acid
• Perfluoroheptanecarboxylic acid
• Perfluorooctanoic acid
• n-Perfluorooctanoic acid

• ω : Acentric Factor.
• 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_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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).
• P_sub : Sublimation pressure (kPa).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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
ω	0.7001		Relay (1.0) Calculated Property
ΔfG°	-3151.53	kJ/mol	Joback Calculated Property
ΔfH°gas	-3537.66	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.46	kJ/mol	Joback Calculated Property
ΔvapH°	72.78	kJ/mol	Relay (1.0) Calculated Property
IE	11.59	eV	Relay (1.0) Calculated Property
log10WS	-5.87		Relay (1.0) Calculated Property
logPoct/wat	4.445		Crippen Calculated Property
McVol	157.570	ml/mol	McGowan Calculated Property
Pc	1775.84	kPa	Joback Calculated Property
Inp	[1045.00; 1045.00]
Inp	1045.00		NIST
Inp	1045.00		NIST
Tboil	451.44	K	Relay (1.0) Calculated Property
Tc	592.90	K	Relay (1.0) Calculated Property
Tfus	344.85	K	Relay (1.0) Calculated Property
Vc	0.671	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[455.75; 503.33]	J/mol×K	[494.93; 624.79]
Cp,gas	455.75	J/mol×K	494.93	Joback Calculated Property
Cp,gas	465.49	J/mol×K	516.57	Joback Calculated Property
Cp,gas	474.45	J/mol×K	538.22	Joback Calculated Property
Cp,gas	482.67	J/mol×K	559.86	Joback Calculated Property
Cp,gas	490.20	J/mol×K	581.50	Joback Calculated Property
Cp,gas	497.07	J/mol×K	603.14	Joback Calculated Property
Cp,gas	503.33	J/mol×K	624.79	Joback Calculated Property
ΔsubH	88.90	kJ/mol	308.00	NIST
Psub	[5.20e-03; 0.04]	kPa	[294.85; 318.85]
Psub	5.20e-03	kPa	294.85	Solid Vapor Pressure and Enthalpy of Sublimation for Perfluorooctanoic Acid
Psub	0.02	kPa	308.55	Solid Vapor Pressure and Enthalpy of Sublimation for Perfluorooctanoic Acid
Psub	0.04	kPa	318.85	Solid Vapor Pressure and Enthalpy of Sublimation for Perfluorooctanoic Acid
Pvap	[0.13; 96.50]	kPa	[332.40; 463.95]
Pvap	0.13	kPa	332.40	Vapor Pressures of Perfluorooctanoic, -nonanoic, -decanoic, -undecanoic, and -dodecanoic Acids
Pvap	0.17	kPa	335.52	Vapor Pressures of Perfluorooctanoic, -nonanoic, -decanoic, -undecanoic, and -dodecanoic Acids
Pvap	0.23	kPa	339.75	Vapor Pressures of Perfluorooctanoic, -nonanoic, -decanoic, -undecanoic, and -dodecanoic Acids
Pvap	0.36	kPa	345.75	Vapor Pressures of Perfluorooctanoic, -nonanoic, -decanoic, -undecanoic, and -dodecanoic Acids
Pvap	0.58	kPa	352.15	Vapor Pressures of Perfluorooctanoic, -nonanoic, -decanoic, -undecanoic, and -dodecanoic Acids
Pvap	0.96	kPa	359.75	Vapor Pressures of Perfluorooctanoic, -nonanoic, -decanoic, -undecanoic, and -dodecanoic Acids
Pvap	1.60	kPa	368.05	Vapor Pressures of Perfluorooctanoic, -nonanoic, -decanoic, -undecanoic, and -dodecanoic Acids
Pvap	2.69	kPa	377.09	Vapor Pressures of Perfluorooctanoic, -nonanoic, -decanoic, -undecanoic, and -dodecanoic Acids
Pvap	4.59	kPa	387.15	Vapor Pressures of Perfluorooctanoic, -nonanoic, -decanoic, -undecanoic, and -dodecanoic Acids
Pvap	7.69	kPa	397.55	Vapor Pressures of Perfluorooctanoic, -nonanoic, -decanoic, -undecanoic, and -dodecanoic Acids
Pvap	13.07	kPa	409.26	Vapor Pressures of Perfluorooctanoic, -nonanoic, -decanoic, -undecanoic, and -dodecanoic Acids
Pvap	22.16	kPa	421.75	Vapor Pressures of Perfluorooctanoic, -nonanoic, -decanoic, -undecanoic, and -dodecanoic Acids
Pvap	37.25	kPa	435.35	Vapor Pressures of Perfluorooctanoic, -nonanoic, -decanoic, -undecanoic, and -dodecanoic Acids
Pvap	63.98	kPa	450.95	Vapor Pressures of Perfluorooctanoic, -nonanoic, -decanoic, -undecanoic, and -dodecanoic Acids
Pvap	96.50	kPa	463.95	Vapor Pressures of Perfluorooctanoic, -nonanoic, -decanoic, -undecanoic, and -dodecanoic Acids

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[462.00; 462.20]	K	[98.10; 98.10]
Tboilr	462.20	K	98.10	NIST
Tboilr	462.00	K	98.10	NIST

Similar Compounds

Find more compounds similar to Pentadecafluorooctanoic acid.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Vapor Pressures of Perfluorooctanoic, -nonanoic, -decanoic, -undecanoic, and -dodecanoic Acids
• Solid Vapor Pressure and Enthalpy of Sublimation for Perfluorooctanoic Acid
• Joback Method
• McGowan Method
• NIST Webbook

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