Chemical Properties of 5-Amino-2-methoxyphenol, O,N-bis(heptafluorobutyryl)-

InChI

InChI=1S/C15H7F14NO4/c1-33-6-3-2-5(30-8(31)10(16,17)12(20,21)14(24,25)26)4-7(6)34-9(32)11(18,19)13(22,23)15(27,28)29/h2-4H,1H3,(H,30,31)

InChI Key

WWEMBNJLHOZZRA-UHFFFAOYSA-N

Formula

C15H7F14NO4

SMILES

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

Molecular Weight¹

531.20

• 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	0.8425		Relay (1.0) Calculated Property
ΔfG°	-2920.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-3512.55	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.18	kJ/mol	Joback Calculated Property
ΔvapH°	92.23	kJ/mol	Relay (1.0) Calculated Property
IE	8.66	eV	Relay (1.0) Calculated Property
log10WS	-7.39		Relay (1.0) Calculated Property
logPoct/wat	5.205		Crippen Calculated Property
McVol	248.090	ml/mol	McGowan Calculated Property
Pc	1305.17	kPa	Joback Calculated Property
Inp	[1524.00; 1524.00]
Inp	1524.00		NIST
Inp	1524.00		NIST
Tboil	556.44	K	Relay (1.0) Calculated Property
Tc	743.66	K	Relay (1.0) Calculated Property
Tfus	394.76	K	Relay (1.0) Calculated Property
Vc	0.944	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[769.06; 814.53]	J/mol×K	[752.39; 926.11]
Cp,gas	769.06	J/mol×K	752.39	Joback Calculated Property
Cp,gas	778.41	J/mol×K	781.34	Joback Calculated Property
Cp,gas	786.94	J/mol×K	810.30	Joback Calculated Property
Cp,gas	794.74	J/mol×K	839.25	Joback Calculated Property
Cp,gas	801.89	J/mol×K	868.20	Joback Calculated Property
Cp,gas	808.46	J/mol×K	897.15	Joback Calculated Property
Cp,gas	814.53	J/mol×K	926.11	Joback Calculated Property

Similar Compounds

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

Sources

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

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