Chemical Properties of Glutaric acid, 3-methylbut-2-en-1-yl 2-nitrophenyl ester

InChI

InChI=1S/C16H19NO6/c1-12(2)10-11-22-15(18)8-5-9-16(19)23-14-7-4-3-6-13(14)17(20)21/h3-4,6-7,10H,5,8-9,11H2,1-2H3

InChI Key

XAEUBDUVEDRBMZ-UHFFFAOYSA-N

Formula

C16H19NO6

SMILES

CC(C)=CCOC(=O)CCCC(=O)Oc1ccccc1[N+](=O)[O-]

Molecular Weight¹

321.33

• 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	0.8740		Relay (1.0) Calculated Property
ΔfG°	-174.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-645.36	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.67	kJ/mol	Joback Calculated Property
ΔvapH°	99.65	kJ/mol	Relay (1.0) Calculated Property
IE	8.71	eV	Relay (1.0) Calculated Property
log10WS	-4.15		Relay (1.0) Calculated Property
logPoct/wat	3.180		Crippen Calculated Property
McVol	240.540	ml/mol	McGowan Calculated Property
Pc	1928.74	kPa	Joback Calculated Property
Inp	[2447.00; 2447.00]
Inp	2447.00		NIST
Inp	2447.00		NIST
Tboil	630.32	K	Relay (1.0) Calculated Property
Tc	870.19	K	Relay (1.0) Calculated Property
Tfus	315.43	K	Relay (1.0) Calculated Property
Vc	0.851	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[726.42; 781.91]	J/mol×K	[905.60; 1135.73]
Cp,gas	726.42	J/mol×K	905.60	Joback Calculated Property
Cp,gas	738.27	J/mol×K	943.95	Joback Calculated Property
Cp,gas	749.03	J/mol×K	982.31	Joback Calculated Property
Cp,gas	758.73	J/mol×K	1020.66	Joback Calculated Property
Cp,gas	767.42	J/mol×K	1059.02	Joback Calculated Property
Cp,gas	775.13	J/mol×K	1097.37	Joback Calculated Property
Cp,gas	781.91	J/mol×K	1135.73	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-methylbut-2-en-1-yl 2-nitrophenyl ester.

Sources

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

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