Chemical Properties of Glutaric acid, hept-2-yl 4-nitrophenyl ester

InChI

InChI=1S/C18H25NO6/c1-3-4-5-7-14(2)24-17(20)8-6-9-18(21)25-16-12-10-15(11-13-16)19(22)23/h10-14H,3-9H2,1-2H3

InChI Key

INJCPVJTWDCFCY-UHFFFAOYSA-N

Formula

C18H25NO6

SMILES

CCCCCC(C)OC(=O)CCCC(=O)Oc1ccc([N+](=O)[O-])cc1

Molecular Weight¹

351.39

• 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°	-231.27	kJ/mol	Joback Calculated Property
ΔfH°gas	-695.43	kJ/mol	Joback Calculated Property
ΔfusH°	49.44	kJ/mol	Joback Calculated Property
ΔvapH°	93.11	kJ/mol	Joback Calculated Property
log10WS	-5.60		Crippen Calculated Property
logPoct/wat	4.183		Crippen Calculated Property
McVol	273.020	ml/mol	McGowan Calculated Property
Pc	1577.21	kPa	Joback Calculated Property
Inp	[2594.00; 2594.00]
Inp	2594.00		NIST
Inp	2594.00		NIST
Tboil	946.88	K	Joback Calculated Property
Tc	1171.09	K	Joback Calculated Property
Tfus	604.49	K	Joback Calculated Property
Vc	1.060	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[870.95; 926.74]	J/mol×K	[946.88; 1171.09]
Cp,gas	870.95	J/mol×K	946.88	Joback Calculated Property
Cp,gas	883.36	J/mol×K	984.25	Joback Calculated Property
Cp,gas	894.49	J/mol×K	1021.62	Joback Calculated Property
Cp,gas	904.36	J/mol×K	1058.99	Joback Calculated Property
Cp,gas	913.01	J/mol×K	1096.36	Joback Calculated Property
Cp,gas	920.45	J/mol×K	1133.72	Joback Calculated Property
Cp,gas	926.74	J/mol×K	1171.09	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, hept-2-yl 4-nitrophenyl ester.

Sources

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

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