Chemical Properties of 2-((2,2,3,3,4,4,4-Heptafluorobutanoyl)amino)phenyl 2,2,3,3,4,4,4-heptafluorobutanoate

InChI

InChI=1S/C14H5F14NO3/c15-9(16,11(19,20)13(23,24)25)7(30)29-5-3-1-2-4-6(5)32-8(31)10(17,18)12(21,22)14(26,27)28/h1-4H,(H,29,30)

InChI Key

RDWBQWPWKZRRHL-UHFFFAOYSA-N

Formula

C14H5F14NO3

SMILES

O=C(Nc1ccccc1OC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

501.17

• 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	0.7493		Relay (... Calculated Property
ΔfG°	-2813.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-3371.94	kJ/mol	Relay (... Calculated Property
ΔfusH°	33.79	kJ/mol	Joback Calculated Property
ΔvapH°	84.49	kJ/mol	Relay (... Calculated Property
IE	9.33	eV	Relay (... Calculated Property
log10WS	-6.96		Relay (... Calculated Property
logPoct/wat	5.196		Crippen Calculated Property
McVol	228.130	ml/mol	McGowan Calculated Property
Pc	1434.80	kPa	Joback Calculated Property
Inp	[1231.00; 1231.00]
Inp	1231.00		NIST
Inp	1231.00		NIST
Tboil	517.01	K	Relay (... Calculated Property
Tc	718.27	K	Relay (... Calculated Property
Tfus	365.34	K	Relay (... Calculated Property
Vc	0.874	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[693.74; 738.76]	J/mol×K	[702.11; 870.94]
Cp,gas	693.74	J/mol×K	702.11	Joback Calculated Property
Cp,gas	703.11	J/mol×K	730.25	Joback Calculated Property
Cp,gas	711.63	J/mol×K	758.39	Joback Calculated Property
Cp,gas	719.37	J/mol×K	786.52	Joback Calculated Property
Cp,gas	726.42	J/mol×K	814.66	Joback Calculated Property
Cp,gas	732.86	J/mol×K	842.80	Joback Calculated Property
Cp,gas	738.76	J/mol×K	870.94	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-((2,2,3,3,4,4,4-Heptafluorobutanoyl)amino)phenyl 2,2,3,3,4,4,4-heptafluorobutanoate.

Sources

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

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