Chemical Properties of Glutaric acid, 3-chlorophenyl 2-nitrophenyl ester

InChI

InChI=1S/C17H14ClNO6/c18-12-5-3-6-13(11-12)24-16(20)9-4-10-17(21)25-15-8-2-1-7-14(15)19(22)23/h1-3,5-8,11H,4,9-10H2

InChI Key

XBSSPKZELQSOHI-UHFFFAOYSA-N

Formula

C17H14ClNO6

SMILES

O=C(CCCC(=O)Oc1ccccc1[N+](=O)[O-])Oc1cccc(Cl)c1

Molecular Weight¹

363.75

• 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°	-146.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-460.19	kJ/mol	Joback Calculated Property
ΔfusH°	48.22	kJ/mol	Joback Calculated Property
ΔvapH°	98.60	kJ/mol	Joback Calculated Property
log10WS	-5.50		Crippen Calculated Property
logPoct/wat	3.929		Crippen Calculated Property
McVol	247.410	ml/mol	McGowan Calculated Property
Pc	2161.32	kPa	Joback Calculated Property
Inp	[2902.00; 2902.00]
Inp	2902.00		NIST
Inp	2902.00		NIST
Tboil	993.53	K	Joback Calculated Property
Tc	1245.92	K	Joback Calculated Property
Tfus	677.08	K	Joback Calculated Property
Vc	0.951	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[721.42; 751.97]	J/mol×K	[993.53; 1245.92]
Cp,gas	721.42	J/mol×K	993.53	Joback Calculated Property
Cp,gas	729.72	J/mol×K	1035.59	Joback Calculated Property
Cp,gas	736.68	J/mol×K	1077.66	Joback Calculated Property
Cp,gas	742.35	J/mol×K	1119.72	Joback Calculated Property
Cp,gas	746.76	J/mol×K	1161.79	Joback Calculated Property
Cp,gas	749.95	J/mol×K	1203.85	Joback Calculated Property
Cp,gas	751.97	J/mol×K	1245.92	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-chlorophenyl 2-nitrophenyl ester.

Sources

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

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