Chemical Properties of Succinic acid, 5-fluoro-2-nitrophenyl 3,4-dimethylphenyl ester

InChI

InChI=1S/C18H16FNO6/c1-11-3-5-14(9-12(11)2)25-17(21)7-8-18(22)26-16-10-13(19)4-6-15(16)20(23)24/h3-6,9-10H,7-8H2,1-2H3

InChI Key

DIOWEZOGKNUBOZ-UHFFFAOYSA-N

Formula

C18H16FNO6

SMILES

Cc1ccc(OC(=O)CCC(=O)Oc2cc(F)ccc2[N+](=O)[O-])cc1C

Molecular Weight¹

361.32

• 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°	-340.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-684.14	kJ/mol	Joback Calculated Property
ΔfusH°	48.92	kJ/mol	Joback Calculated Property
ΔvapH°	96.95	kJ/mol	Joback Calculated Property
log10WS	-5.68		Crippen Calculated Property
logPoct/wat	3.642		Crippen Calculated Property
McVol	251.030	ml/mol	McGowan Calculated Property
Pc	1915.26	kPa	Joback Calculated Property
Inp	[2783.00; 2783.00]
Inp	2783.00		NIST
Inp	2783.00		NIST
Tboil	988.21	K	Joback Calculated Property
Tc	1230.50	K	Joback Calculated Property
Tfus	684.06	K	Joback Calculated Property
Vc	0.976	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[764.28; 798.68]	J/mol×K	[988.21; 1230.50]
Cp,gas	764.28	J/mol×K	988.21	Joback Calculated Property
Cp,gas	773.41	J/mol×K	1028.59	Joback Calculated Property
Cp,gas	781.15	J/mol×K	1068.97	Joback Calculated Property
Cp,gas	787.52	J/mol×K	1109.36	Joback Calculated Property
Cp,gas	792.56	J/mol×K	1149.74	Joback Calculated Property
Cp,gas	796.27	J/mol×K	1190.12	Joback Calculated Property
Cp,gas	798.68	J/mol×K	1230.50	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 5-fluoro-2-nitrophenyl 3,4-dimethylphenyl ester.

Sources

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

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