Chemical Properties of Glutaric acid, 2-methylpent-3-yl 2-nitrophenyl ester

InChI

InChI=1S/C17H23NO6/c1-4-14(12(2)3)23-16(19)10-7-11-17(20)24-15-9-6-5-8-13(15)18(21)22/h5-6,8-9,12,14H,4,7,10-11H2,1-3H3

InChI Key

DZLFJRQADCQERT-UHFFFAOYSA-N

Formula

C17H23NO6

SMILES

CCC(OC(=O)CCCC(=O)Oc1ccccc1[N+](=O)[O-])C(C)C

Molecular Weight¹

337.37

• 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	0.9221		Relay (1.0) Calculated Property
ΔfG°	-242.13	kJ/mol	Joback Calculated Property
ΔfH°gas	-780.16	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.33	kJ/mol	Joback Calculated Property
ΔvapH°	96.72	kJ/mol	Relay (1.0) Calculated Property
IE	8.98	eV	Relay (1.0) Calculated Property
log10WS	-4.03		Relay (1.0) Calculated Property
logPoct/wat	3.648		Crippen Calculated Property
McVol	258.930	ml/mol	McGowan Calculated Property
Pc	1716.03	kPa	Joback Calculated Property
Inp	[2416.00; 2416.00]
Inp	2416.00		NIST
Inp	2416.00		NIST
Tboil	628.81	K	Relay (1.0) Calculated Property
Tc	870.72	K	Relay (1.0) Calculated Property
Tfus	303.50	K	Relay (1.0) Calculated Property
Vc	0.918	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[813.39; 868.97]	J/mol×K	[923.56; 1150.00]
Cp,gas	813.39	J/mol×K	923.56	Joback Calculated Property
Cp,gas	825.78	J/mol×K	961.30	Joback Calculated Property
Cp,gas	836.89	J/mol×K	999.04	Joback Calculated Property
Cp,gas	846.73	J/mol×K	1036.78	Joback Calculated Property
Cp,gas	855.34	J/mol×K	1074.52	Joback Calculated Property
Cp,gas	862.75	J/mol×K	1112.26	Joback Calculated Property
Cp,gas	868.97	J/mol×K	1150.00	Joback Calculated Property

Similar Compounds

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

Sources

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

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