Chemical Properties of Glutaric acid, pentyl 3-methoxy-4-nitrobenzyl ester

InChI

InChI=1S/C18H25NO7/c1-3-4-5-11-25-17(20)7-6-8-18(21)26-13-14-9-10-15(19(22)23)16(12-14)24-2/h9-10,12H,3-8,11,13H2,1-2H3

InChI Key

NYBSFXJZUROIIY-UHFFFAOYSA-N

Formula

C18H25NO7

SMILES

CCCCCOC(=O)CCCC(=O)OCc1ccc([N+](=O)[O-])c(OC)c1

Molecular Weight¹

367.39

• 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	1.0801		Relay (1.0) Calculated Property
ΔfG°	-343.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-899.91	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	53.76	kJ/mol	Joback Calculated Property
ΔvapH°	105.52	kJ/mol	Relay (1.0) Calculated Property
IE	8.73	eV	Relay (1.0) Calculated Property
log10WS	-4.41		Relay (1.0) Calculated Property
logPoct/wat	3.550		Crippen Calculated Property
McVol	278.890	ml/mol	McGowan Calculated Property
Pc	1528.27	kPa	Joback Calculated Property
Inp	[2852.00; 2852.00]
Inp	2852.00		NIST
Inp	2852.00		NIST
Tboil	656.14	K	Relay (1.0) Calculated Property
Tc	888.15	K	Relay (1.0) Calculated Property
Tfus	302.24	K	Relay (1.0) Calculated Property
Vc	1.020	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[895.30; 942.07]	J/mol×K	[974.72; 1199.63]
Cp,gas	895.30	J/mol×K	974.72	Joback Calculated Property
Cp,gas	906.67	J/mol×K	1012.21	Joback Calculated Property
Cp,gas	916.61	J/mol×K	1049.69	Joback Calculated Property
Cp,gas	925.11	J/mol×K	1087.18	Joback Calculated Property
Cp,gas	932.18	J/mol×K	1124.66	Joback Calculated Property
Cp,gas	937.84	J/mol×K	1162.15	Joback Calculated Property
Cp,gas	942.07	J/mol×K	1199.63	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, pentyl 3-methoxy-4-nitrobenzyl ester.

Sources

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

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