Chemical Properties of 3-Nitrophenol, trifluoroacetate

InChI

InChI=1S/C8H4F3NO4/c9-8(10,11)7(13)16-6-3-1-2-5(4-6)12(14)15/h1-4H

InChI Key

GLZMEVLFQVYGPG-UHFFFAOYSA-N

Formula

C8H4F3NO4

SMILES

O=C(Oc1cccc([N+](=O)[O-])c1)C(F)(F)F

Molecular Weight¹

235.12

• 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	0.5692		Relay (1.0) Calculated Property
ΔfG°	-660.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-856.36	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.10	kJ/mol	Joback Calculated Property
ΔvapH°	73.39	kJ/mol	Relay (1.0) Calculated Property
IE	10.10	eV	Relay (1.0) Calculated Property
log10WS	-2.90		Relay (1.0) Calculated Property
logPoct/wat	2.062		Crippen Calculated Property
McVol	129.990	ml/mol	McGowan Calculated Property
Pc	3348.98	kPa	Joback Calculated Property
Inp	[1225.00; 1225.00]
Inp	1225.00		NIST
Inp	1225.00		NIST
Tboil	502.57	K	Relay (1.0) Calculated Property
Tc	717.71	K	Relay (1.0) Calculated Property
Tfus	320.74	K	Relay (1.0) Calculated Property
Vc	0.455	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[326.53; 371.18]	J/mol×K	[636.81; 864.12]
Cp,gas	326.53	J/mol×K	636.81	Joback Calculated Property
Cp,gas	335.87	J/mol×K	674.70	Joback Calculated Property
Cp,gas	344.39	J/mol×K	712.58	Joback Calculated Property
Cp,gas	352.14	J/mol×K	750.47	Joback Calculated Property
Cp,gas	359.16	J/mol×K	788.35	Joback Calculated Property
Cp,gas	365.50	J/mol×K	826.24	Joback Calculated Property
Cp,gas	371.18	J/mol×K	864.12	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Nitrophenol, trifluoroacetate.

Sources

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

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