Chemical Properties of Succinic acid, 4-methoxy-3-nitrobenzyl octyl ester

InChI

InChI=1S/C20H29NO7/c1-3-4-5-6-7-8-13-27-19(22)11-12-20(23)28-15-16-9-10-18(26-2)17(14-16)21(24)25/h9-10,14H,3-8,11-13,15H2,1-2H3

InChI Key

FKRIRJFYMXQIGU-UHFFFAOYSA-N

Formula

C20H29NO7

SMILES

CCCCCCCCOC(=O)CCC(=O)OCc1ccc(OC)c([N+](=O)[O-])c1

Molecular Weight¹

395.45

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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°	62.11	kJ/mol	Joback Calculated Property
ΔvapH°	112.93	kJ/mol	Relay (1.0) Calculated Property
IE	8.73	eV	Relay (1.0) Calculated Property
log10WS	-5.32		Relay (1.0) Calculated Property
logPoct/wat	4.330		Crippen Calculated Property
McVol	307.070	ml/mol	McGowan Calculated Property
Inp	[3013.00; 3013.00]
Inp	3013.00		NIST
Inp	3013.00		NIST
Tboil	665.41	K	Relay (1.0) Calculated Property
Tfus	306.03	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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	[1002.51; 1048.06]	J/mol×K	[984.54; 1207.85]
Cp,gas	1002.51	J/mol×K	984.54	Joback Calculated Property
Cp,gas	1014.03	J/mol×K	1021.76	Joback Calculated Property
Cp,gas	1023.97	J/mol×K	1058.98	Joback Calculated Property
Cp,gas	1032.32	J/mol×K	1096.20	Joback Calculated Property
Cp,gas	1039.11	J/mol×K	1133.41	Joback Calculated Property
Cp,gas	1044.35	J/mol×K	1170.63	Joback Calculated Property
Cp,gas	1048.06	J/mol×K	1207.85	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 4-methoxy-3-nitrobenzyl octyl 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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