Chemical Properties of 5-Amino-2-methoxyphenol, N-heptafluorobutyryl-

InChI

InChI=1S/C11H8F7NO3/c1-22-7-3-2-5(4-6(7)20)19-8(21)9(12,13)10(14,15)11(16,17)18/h2-4,20H,1H3,(H,19,21)

InChI Key

YWQNZDCGJOMTNU-UHFFFAOYSA-N

Formula

C11H8F7NO3

SMILES

COc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1O

Molecular Weight¹

335.17

• 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°	-1509.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-1812.97	kJ/mol	Joback Calculated Property
ΔfusH°	30.89	kJ/mol	Joback Calculated Property
ΔvapH°	62.02	kJ/mol	Joback Calculated Property
log10WS	-3.47		Crippen Calculated Property
logPoct/wat	3.172		Crippen Calculated Property
McVol	177.770	ml/mol	McGowan Calculated Property
Pc	2480.12	kPa	Joback Calculated Property
Inp	[1565.00; 1565.00]
Inp	1565.00		NIST
Inp	1565.00		NIST
Tboil	675.02	K	Joback Calculated Property
Tc	866.68	K	Joback Calculated Property
Tfus	500.60	K	Joback Calculated Property
Vc	0.661	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[511.96; 560.42]	J/mol×K	[675.02; 866.68]
Cp,gas	511.96	J/mol×K	675.02	Joback Calculated Property
Cp,gas	521.68	J/mol×K	706.96	Joback Calculated Property
Cp,gas	530.62	J/mol×K	738.91	Joback Calculated Property
Cp,gas	538.87	J/mol×K	770.85	Joback Calculated Property
Cp,gas	546.53	J/mol×K	802.79	Joback Calculated Property
Cp,gas	553.69	J/mol×K	834.73	Joback Calculated Property
Cp,gas	560.42	J/mol×K	866.68	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5-Amino-2-methoxyphenol, N-heptafluorobutyryl-.

Sources

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

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