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

InChI

InChI=1S/C13H6F9NO5/c1-27-6-3-2-5(4-7(6)28-10(26)13(20,21)22)23(8(24)11(14,15)16)9(25)12(17,18)19/h2-4H,1H3

InChI Key

JELDXANQGKOGEG-UHFFFAOYSA-N

Formula

C13H6F9NO5

SMILES

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

Molecular Weight¹

427.18

• 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°	-2079.02	kJ/mol	Joback Calculated Property
ΔfH°gas	-2423.95	kJ/mol	Joback Calculated Property
ΔfusH°	38.36	kJ/mol	Joback Calculated Property
ΔvapH°	63.99	kJ/mol	Joback Calculated Property
log10WS	-4.19		Crippen Calculated Property
logPoct/wat	3.147		Crippen Calculated Property
McVol	212.630	ml/mol	McGowan Calculated Property
Pc	1795.46	kPa	Joback Calculated Property
Inp	[1273.00; 1273.00]
Inp	1273.00		NIST
Inp	1273.00		NIST
Tboil	736.11	K	Joback Calculated Property
Tc	916.41	K	Joback Calculated Property
Tfus	527.02	K	Joback Calculated Property
Vc	0.857	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[618.03; 662.13]	J/mol×K	[736.11; 916.41]
Cp,gas	618.03	J/mol×K	736.11	Joback Calculated Property
Cp,gas	627.12	J/mol×K	766.16	Joback Calculated Property
Cp,gas	635.45	J/mol×K	796.21	Joback Calculated Property
Cp,gas	643.08	J/mol×K	826.26	Joback Calculated Property
Cp,gas	650.03	J/mol×K	856.31	Joback Calculated Property
Cp,gas	656.37	J/mol×K	886.36	Joback Calculated Property
Cp,gas	662.13	J/mol×K	916.41	Joback Calculated Property

Similar Compounds

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

Sources

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

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