Chemical Properties of 2,6-Diethylaniline, N,N-bis(pentafluoropropionyl)

InChI

InChI=1S/C16H13F10NO2/c1-3-8-6-5-7-9(4-2)10(8)27(11(28)13(17,18)15(21,22)23)12(29)14(19,20)16(24,25)26/h5-7H,3-4H2,1-2H3

InChI Key

UJELPYIOAIKGKM-UHFFFAOYSA-N

Formula

C16H13F10NO2

SMILES

CCc1cccc(CC)c1N(C(=O)C(F)(F)C(F)(F)F)C(=O)C(F)(F)C(F)(F)F

Molecular Weight¹

441.26

Other Names

• 2-Bis(pentafluoropropionyl)amino-1,3-diethylbenzene

• 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	0.7188		Relay (1.0) Calculated Property
ΔfG°	-1906.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-2410.90	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.82	kJ/mol	Joback Calculated Property
ΔvapH°	80.69	kJ/mol	Relay (1.0) Calculated Property
IE	9.19	eV	Relay (1.0) Calculated Property
log10WS	-6.67		Relay (1.0) Calculated Property
logPoct/wat	5.066		Crippen Calculated Property
McVol	243.360	ml/mol	McGowan Calculated Property
Pc	1368.70	kPa	Joback Calculated Property
Inp	[1257.00; 1257.00]
Inp	1257.00		NIST
Inp	1257.00		NIST
Tboil	523.72	K	Relay (1.0) Calculated Property
Tc	699.40	K	Relay (1.0) Calculated Property
Tfus	311.44	K	Relay (1.0) Calculated Property
Vc	0.911	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[720.77; 781.32]	J/mol×K	[702.08; 874.53]
Cp,gas	720.77	J/mol×K	702.08	Joback Calculated Property
Cp,gas	732.83	J/mol×K	730.82	Joback Calculated Property
Cp,gas	744.00	J/mol×K	759.56	Joback Calculated Property
Cp,gas	754.36	J/mol×K	788.30	Joback Calculated Property
Cp,gas	763.98	J/mol×K	817.04	Joback Calculated Property
Cp,gas	772.95	J/mol×K	845.79	Joback Calculated Property
Cp,gas	781.32	J/mol×K	874.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,6-Diethylaniline, N,N-bis(pentafluoropropionyl).

Sources

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

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