Chemical Properties of Perfluorononanoic acid (CAS 375-95-1)

InChI

InChI=1S/C9HF17O2/c10-2(11,1(27)28)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)26/h(H,27,28)

InChI Key

UZUFPBIDKMEQEQ-UHFFFAOYSA-N

Formula

C9HF17O2

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)C(F)(F)F

Molecular Weight¹

464.08

CAS

375-95-1

Other Names

• 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluorononanoic acid
• Nonanoic acid, heptadecafluoro-
• perfluorononan-1-oic 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_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_vap : Vapor 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
ω	0.7350		Relay (1.0) Calculated Property
ΔfG°	-3529.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-3941.16	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.80	kJ/mol	Joback Calculated Property
ΔvapH°	76.59	kJ/mol	Relay (1.0) Calculated Property
IE	11.54	eV	Relay (1.0) Calculated Property
log10WS	-6.60		Relay (1.0) Calculated Property
logPoct/wat	5.080		Crippen Calculated Property
McVol	175.200	ml/mol	McGowan Calculated Property
Pc	1550.00	kPa	Joback Calculated Property
Inp	[1091.00; 1091.00]
Inp	1091.00		NIST
Inp	1091.00		NIST
Tboil	466.56	K	Relay (1.0) Calculated Property
Tc	607.64	K	Relay (1.0) Calculated Property
Tfus	361.55	K	Relay (1.0) Calculated Property
Vc	0.754	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[520.84; 569.73]	J/mol×K	[513.12; 641.08]
Cp,gas	520.84	J/mol×K	513.12	Joback Calculated Property
Cp,gas	530.88	J/mol×K	534.45	Joback Calculated Property
Cp,gas	540.11	J/mol×K	555.77	Joback Calculated Property
Cp,gas	548.57	J/mol×K	577.10	Joback Calculated Property
Cp,gas	556.29	J/mol×K	598.43	Joback Calculated Property
Cp,gas	563.33	J/mol×K	619.76	Joback Calculated Property
Cp,gas	569.73	J/mol×K	641.08	Joback Calculated Property
Pvap	[1.12; 99.97]	kPa	[372.78; 476.27]
Pvap	1.12	kPa	372.78	Vapor Pressures of Perfluorooctanoic, -nonanoic, -decanoic, -undecanoic, and -dodecanoic Acids
Pvap	2.02	kPa	382.69	Vapor Pressures of Perfluorooctanoic, -nonanoic, -decanoic, -undecanoic, and -dodecanoic Acids
Pvap	3.12	kPa	390.81	Vapor Pressures of Perfluorooctanoic, -nonanoic, -decanoic, -undecanoic, and -dodecanoic Acids
Pvap	5.54	kPa	401.70	Vapor Pressures of Perfluorooctanoic, -nonanoic, -decanoic, -undecanoic, and -dodecanoic Acids
Pvap	9.33	kPa	412.92	Vapor Pressures of Perfluorooctanoic, -nonanoic, -decanoic, -undecanoic, and -dodecanoic Acids
Pvap	15.19	kPa	423.86	Vapor Pressures of Perfluorooctanoic, -nonanoic, -decanoic, -undecanoic, and -dodecanoic Acids
Pvap	22.77	kPa	432.85	Vapor Pressures of Perfluorooctanoic, -nonanoic, -decanoic, -undecanoic, and -dodecanoic Acids
Pvap	37.25	kPa	446.11	Vapor Pressures of Perfluorooctanoic, -nonanoic, -decanoic, -undecanoic, and -dodecanoic Acids
Pvap	62.07	kPa	461.08	Vapor Pressures of Perfluorooctanoic, -nonanoic, -decanoic, -undecanoic, and -dodecanoic Acids
Pvap	99.97	kPa	476.13	Vapor Pressures of Perfluorooctanoic, -nonanoic, -decanoic, -undecanoic, and -dodecanoic Acids
Pvap	99.97	kPa	476.27	Vapor Pressures of Perfluorooctanoic, -nonanoic, -decanoic, -undecanoic, and -dodecanoic Acids

Similar Compounds

Find more compounds similar to Perfluorononanoic acid.

Sources

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

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