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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	49.84	kJ/mol	Joback 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
Inp	[2447.00; 2447.00]
Inp	2447.00		NIST
Inp	2447.00		NIST
Tboil	630.32	K	Relay (1.0) Calculated Property
Tfus	308.56	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[718.46; 773.19]	J/mol×K	[869.66; 1096.04]
Cp,gas	718.46	J/mol×K	869.66	Joback Calculated Property
Cp,gas	730.43	J/mol×K	907.39	Joback Calculated Property
Cp,gas	741.19	J/mol×K	945.12	Joback Calculated Property
Cp,gas	750.81	J/mol×K	982.85	Joback Calculated Property
Cp,gas	759.32	J/mol×K	1020.58	Joback Calculated Property
Cp,gas	766.76	J/mol×K	1058.31	Joback Calculated Property
Cp,gas	773.19	J/mol×K	1096.04	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)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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