Chemical Properties of Glutaric acid, 4-methyl-3-nitrobenzyl propyl ester

InChI

InChI=1S/C16H21NO6/c1-3-9-22-15(18)5-4-6-16(19)23-11-13-8-7-12(2)14(10-13)17(20)21/h7-8,10H,3-6,9,11H2,1-2H3

InChI Key

FDMWSKPMDULTKC-UHFFFAOYSA-N

Formula

C16H21NO6

SMILES

CCCOC(=O)CCCC(=O)OCc1ccc(C)c([N+](=O)[O-])c1

Molecular Weight¹

323.34

• 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	0.9483		Relay (1.0) Calculated Property
ΔfG°	-255.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-743.62	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	47.39	kJ/mol	Joback Calculated Property
ΔvapH°	97.56	kJ/mol	Relay (1.0) Calculated Property
IE	8.94	eV	Relay (1.0) Calculated Property
log10WS	-3.87		Relay (1.0) Calculated Property
logPoct/wat	3.070		Crippen Calculated Property
McVol	244.840	ml/mol	McGowan Calculated Property
Pc	1812.32	kPa	Joback Calculated Property
Inp	[2468.00; 2468.00]
Inp	2468.00		NIST
Inp	2468.00		NIST
Tboil	631.70	K	Relay (1.0) Calculated Property
Tc	862.49	K	Relay (1.0) Calculated Property
Tfus	298.75	K	Relay (1.0) Calculated Property
Vc	0.894	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[753.56; 808.00]	J/mol×K	[906.54; 1129.81]
Cp,gas	753.56	J/mol×K	906.54	Joback Calculated Property
Cp,gas	765.56	J/mol×K	943.75	Joback Calculated Property
Cp,gas	776.37	J/mol×K	980.96	Joback Calculated Property
Cp,gas	786.01	J/mol×K	1018.18	Joback Calculated Property
Cp,gas	794.48	J/mol×K	1055.39	Joback Calculated Property
Cp,gas	801.81	J/mol×K	1092.60	Joback Calculated Property
Cp,gas	808.00	J/mol×K	1129.81	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 4-methyl-3-nitrobenzyl propyl ester.

Sources

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

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