Chemical Properties of Glutaric acid, 2-chloro-6-fluorophenyl 3-nitrobenzyl ester

InChI

InChI=1S/C18H15ClFNO6/c19-14-6-2-7-15(20)18(14)27-17(23)9-3-8-16(22)26-11-12-4-1-5-13(10-12)21(24)25/h1-2,4-7,10H,3,8-9,11H2

InChI Key

YGFDSOFEVKGBLX-UHFFFAOYSA-N

Formula

C18H15ClFNO6

SMILES

O=C(CCCC(=O)Oc1c(F)cccc1Cl)OCc1cccc([N+](=O)[O-])c1

Molecular Weight¹

395.77

• 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°	-342.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-688.41	kJ/mol	Joback Calculated Property
ΔfusH°	53.50	kJ/mol	Joback Calculated Property
ΔvapH°	100.67	kJ/mol	Joback Calculated Property
log10WS	-6.10		Crippen Calculated Property
logPoct/wat	4.206		Crippen Calculated Property
McVol	263.270	ml/mol	McGowan Calculated Property
Pc	1878.90	kPa	Joback Calculated Property
Inp	[3037.00; 3037.00]
Inp	3037.00		NIST
Inp	3037.00		NIST
Tboil	1020.66	K	Joback Calculated Property
Tc	1266.05	K	Joback Calculated Property
Tfus	701.46	K	Joback Calculated Property
Vc	1.024	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[782.90; 810.86]	J/mol×K	[1020.66; 1266.05]
Cp,gas	782.90	J/mol×K	1020.66	Joback Calculated Property
Cp,gas	790.78	J/mol×K	1061.56	Joback Calculated Property
Cp,gas	797.32	J/mol×K	1102.46	Joback Calculated Property
Cp,gas	802.56	J/mol×K	1143.36	Joback Calculated Property
Cp,gas	806.54	J/mol×K	1184.25	Joback Calculated Property
Cp,gas	809.30	J/mol×K	1225.15	Joback Calculated Property
Cp,gas	810.86	J/mol×K	1266.05	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-chloro-6-fluorophenyl 3-nitrobenzyl ester.

Sources

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

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