Chemical Properties of 4-Aminobenzoic acid, N,O-bis(pentafluoropropionyl)-

InChI

InChI=1S/C13H5F10NO4/c14-10(15,12(18,19)20)8(26)24-6-3-1-5(2-4-6)7(25)28-9(27)11(16,17)13(21,22)23/h1-4H,(H,24,26)

InChI Key

ZHCVZWKXNNLIDU-UHFFFAOYSA-N

Formula

C13H5F10NO4

SMILES

O=C(OC(=O)C(F)(F)C(F)(F)F)c1ccc(NC(=O)C(F)(F)C(F)(F)F)cc1

Molecular Weight¹

429.17

• 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).
• 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	0.7699		Relay (1.0) Calculated Property
ΔfG°	-2177.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-2717.02	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.31	kJ/mol	Joback Calculated Property
ΔvapH°	87.57	kJ/mol	Relay (1.0) Calculated Property
IE	9.52	eV	Relay (1.0) Calculated Property
log10WS	-5.88		Relay (1.0) Calculated Property
logPoct/wat	3.704		Crippen Calculated Property
McVol	208.530	ml/mol	McGowan Calculated Property
Pc	1827.85	kPa	Joback Calculated Property
Inp	[1475.00; 1475.00]
Inp	1475.00		NIST
Inp	1475.00		NIST
Tboil	540.68	K	Relay (1.0) Calculated Property
Tc	734.67	K	Relay (1.0) Calculated Property
Tfus	381.63	K	Relay (1.0) Calculated Property
Vc	0.777	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[615.87; 656.33]	J/mol×K	[742.48; 926.16]
Cp,gas	615.87	J/mol×K	742.48	Joback Calculated Property
Cp,gas	624.32	J/mol×K	773.09	Joback Calculated Property
Cp,gas	631.99	J/mol×K	803.71	Joback Calculated Property
Cp,gas	638.95	J/mol×K	834.32	Joback Calculated Property
Cp,gas	645.28	J/mol×K	864.93	Joback Calculated Property
Cp,gas	651.05	J/mol×K	895.55	Joback Calculated Property
Cp,gas	656.33	J/mol×K	926.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Aminobenzoic acid, N,O-bis(pentafluoropropionyl)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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