Chemical Properties of Succinic acid, 5-fluoro-2-nitrophenyl 3-fluorophenyl ester

InChI

InChI=1S/C16H11F2NO6/c17-10-2-1-3-12(8-10)24-15(20)6-7-16(21)25-14-9-11(18)4-5-13(14)19(22)23/h1-5,8-9H,6-7H2

InChI Key

UFRCZAOGHPCKJS-UHFFFAOYSA-N

Formula

C16H11F2NO6

SMILES

O=C(CCC(=O)Oc1cc(F)ccc1[N+](=O)[O-])Oc1cccc(F)c1

Molecular Weight¹

351.26

• 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	0.8941		Relay (1.0) Calculated Property
ΔfG°	-542.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-873.67	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	47.21	kJ/mol	Joback Calculated Property
ΔvapH°	109.88	kJ/mol	Relay (1.0) Calculated Property
IE	9.03	eV	Relay (1.0) Calculated Property
log10WS	-5.28		Relay (1.0) Calculated Property
logPoct/wat	3.164		Crippen Calculated Property
McVol	224.620	ml/mol	McGowan Calculated Property
Pc	2218.71	kPa	Joback Calculated Property
Inp	[2502.00; 2502.00]
Inp	2502.00		NIST
Inp	2502.00		NIST
Tboil	641.52	K	Relay (1.0) Calculated Property
Tc	932.59	K	Relay (1.0) Calculated Property
Tfus	355.53	K	Relay (1.0) Calculated Property
Vc	0.816	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[660.76; 695.01]	J/mol×K	[936.74; 1175.15]
Cp,gas	660.76	J/mol×K	936.74	Joback Calculated Property
Cp,gas	669.45	J/mol×K	976.48	Joback Calculated Property
Cp,gas	676.92	J/mol×K	1016.21	Joback Calculated Property
Cp,gas	683.19	J/mol×K	1055.95	Joback Calculated Property
Cp,gas	688.28	J/mol×K	1095.68	Joback Calculated Property
Cp,gas	692.21	J/mol×K	1135.42	Joback Calculated Property
Cp,gas	695.01	J/mol×K	1175.15	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 5-fluoro-2-nitrophenyl 3-fluorophenyl ester.

Sources

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

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