Chemical Properties of Glutaric acid, 2-fluorophenyl 2-nitrophenyl ester

InChI

InChI=1S/C17H14FNO6/c18-12-6-1-3-8-14(12)24-16(20)10-5-11-17(21)25-15-9-4-2-7-13(15)19(22)23/h1-4,6-9H,5,10-11H2

InChI Key

NKVCWIXGDJJFHD-UHFFFAOYSA-N

Formula

C17H14FNO6

SMILES

O=C(CCCC(=O)Oc1ccccc1[N+](=O)[O-])Oc1ccccc1F

Molecular Weight¹

347.29

• 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°	-329.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-640.56	kJ/mol	Joback Calculated Property
ΔfusH°	47.10	kJ/mol	Joback Calculated Property
ΔvapH°	93.40	kJ/mol	Joback Calculated Property
log10WS	-5.15		Crippen Calculated Property
logPoct/wat	3.415		Crippen Calculated Property
McVol	236.940	ml/mol	McGowan Calculated Property
Pc	2145.33	kPa	Joback Calculated Property
Inp	[2695.00; 2695.00]
Inp	2695.00		NIST
Inp	2695.00		NIST
Tboil	955.37	K	Joback Calculated Property
Tc	1197.81	K	Joback Calculated Property
Tfus	647.75	K	Joback Calculated Property
Vc	0.919	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[711.36; 748.65]	J/mol×K	[955.37; 1197.81]
Cp,gas	711.36	J/mol×K	955.37	Joback Calculated Property
Cp,gas	720.68	J/mol×K	995.78	Joback Calculated Property
Cp,gas	728.72	J/mol×K	1036.18	Joback Calculated Property
Cp,gas	735.50	J/mol×K	1076.59	Joback Calculated Property
Cp,gas	741.06	J/mol×K	1117.00	Joback Calculated Property
Cp,gas	745.43	J/mol×K	1157.40	Joback Calculated Property
Cp,gas	748.65	J/mol×K	1197.81	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-fluorophenyl 2-nitrophenyl ester.

Sources

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

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