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

InChI

InChI=1S/C15H5F14NO4/c16-10(17,12(20,21)14(24,25)26)8(32)30-6-3-1-5(2-4-6)7(31)34-9(33)11(18,19)13(22,23)15(27,28)29/h1-4H,(H,30,32)

InChI Key

RYLLEUUQVWFZLM-UHFFFAOYSA-N

Formula

C15H5F14NO4

SMILES

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

Molecular Weight¹

529.18

• 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°	-2934.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-3342.40	kJ/mol	Joback Calculated Property
ΔfusH°	37.98	kJ/mol	Joback Calculated Property
ΔvapH°	61.79	kJ/mol	Joback Calculated Property
log10WS	-6.37		Crippen Calculated Property
logPoct/wat	4.974		Crippen Calculated Property
McVol	243.790	ml/mol	McGowan Calculated Property
Pc	1399.59	kPa	Joback Calculated Property
Inp	[1537.00; 1537.00]
Inp	1537.00		NIST
Inp	1537.00		NIST
Tboil	778.86	K	Joback Calculated Property
Tc	958.53	K	Joback Calculated Property
Tfus	545.21	K	Joback Calculated Property
Vc	1.024	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[755.67; 794.98]	J/mol×K	[778.86; 958.53]
Cp,gas	755.67	J/mol×K	778.86	Joback Calculated Property
Cp,gas	763.81	J/mol×K	808.81	Joback Calculated Property
Cp,gas	771.19	J/mol×K	838.75	Joback Calculated Property
Cp,gas	777.89	J/mol×K	868.70	Joback Calculated Property
Cp,gas	784.03	J/mol×K	898.64	Joback Calculated Property
Cp,gas	789.70	J/mol×K	928.59	Joback Calculated Property
Cp,gas	794.98	J/mol×K	958.53	Joback Calculated Property

Similar Compounds

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

Sources

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

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