Chemical Properties of 2-Methoxy-5-nitrophenol, heptafluorobutyrate

InChI

InChI=1S/C11H6F7NO5/c1-23-6-3-2-5(19(21)22)4-7(6)24-8(20)9(12,13)10(14,15)11(16,17)18/h2-4H,1H3

InChI Key

TZMZMRRWKKFFKQ-UHFFFAOYSA-N

Formula

C11H6F7NO5

SMILES

COc1ccc([N+](=O)[O-])cc1OC(=O)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

365.16

• 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°	-1523.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-1843.58	kJ/mol	Joback Calculated Property
ΔfusH°	32.16	kJ/mol	Joback Calculated Property
ΔvapH°	62.23	kJ/mol	Joback Calculated Property
log10WS	-4.68		Crippen Calculated Property
logPoct/wat	3.342		Crippen Calculated Property
McVol	185.210	ml/mol	McGowan Calculated Property
Pc	2085.03	kPa	Joback Calculated Property
Inp	[1539.00; 1539.00]
Inp	1539.00		NIST
Inp	1539.00		NIST
Tboil	723.47	K	Joback Calculated Property
Tc	925.70	K	Joback Calculated Property
Tfus	514.58	K	Joback Calculated Property
Vc	0.760	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[532.66; 577.51]	J/mol×K	[723.47; 925.70]
Cp,gas	532.66	J/mol×K	723.47	Joback Calculated Property
Cp,gas	542.03	J/mol×K	757.18	Joback Calculated Property
Cp,gas	550.57	J/mol×K	790.88	Joback Calculated Property
Cp,gas	558.33	J/mol×K	824.59	Joback Calculated Property
Cp,gas	565.37	J/mol×K	858.29	Joback Calculated Property
Cp,gas	571.74	J/mol×K	892.00	Joback Calculated Property
Cp,gas	577.51	J/mol×K	925.70	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Methoxy-5-nitrophenol, heptafluorobutyrate.

Sources

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

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