Chemical Properties of 5-Amino-2-methoxyphenol, N,N,O-tris(pentafluoropropionyl)-

InChI

InChI=1S/C16H6F15NO5/c1-36-6-3-2-5(4-7(6)37-10(35)13(21,22)16(29,30)31)32(8(33)11(17,18)14(23,24)25)9(34)12(19,20)15(26,27)28/h2-4H,1H3

InChI Key

FBRQMXRLZNMRDL-UHFFFAOYSA-N

Formula

C16H6F15NO5

SMILES

COc1ccc(N(C(=O)C(F)(F)C(F)(F)F)C(=O)C(F)(F)C(F)(F)F)cc1OC(=O)C(F)(F)C(F)(F)F

Molecular Weight¹

577.20

• 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	0.8879		Relay (1.0) Calculated Property
ΔfG°	-3214.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-3831.97	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.37	kJ/mol	Joback Calculated Property
ΔvapH°	89.47	kJ/mol	Relay (1.0) Calculated Property
IE	9.17	eV	Relay (1.0) Calculated Property
log10WS	-8.02		Relay (1.0) Calculated Property
logPoct/wat	5.053		Crippen Calculated Property
McVol	265.520	ml/mol	McGowan Calculated Property
Pc	1221.70	kPa	Joback Calculated Property
Inp	[1262.00; 1262.00]
Inp	1262.00		NIST
Inp	1262.00		NIST
Tboil	544.87	K	Relay (1.0) Calculated Property
Tc	729.59	K	Relay (1.0) Calculated Property
Tfus	383.66	K	Relay (1.0) Calculated Property
Vc	1.022	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[829.22; 871.59]	J/mol×K	[790.68; 969.06]
Cp,gas	829.22	J/mol×K	790.68	Joback Calculated Property
Cp,gas	837.97	J/mol×K	820.41	Joback Calculated Property
Cp,gas	845.92	J/mol×K	850.14	Joback Calculated Property
Cp,gas	853.17	J/mol×K	879.87	Joback Calculated Property
Cp,gas	859.81	J/mol×K	909.60	Joback Calculated Property
Cp,gas	865.92	J/mol×K	939.33	Joback Calculated Property
Cp,gas	871.59	J/mol×K	969.06	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5-Amino-2-methoxyphenol, N,N,O-tris(pentafluoropropionyl)-.

Sources

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

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