Chemical Properties of Succinic acid, ethyl 4-methyl-3-nitrobenzyl ester

InChI

InChI=1S/C14H17NO6/c1-3-20-13(16)6-7-14(17)21-9-11-5-4-10(2)12(8-11)15(18)19/h4-5,8H,3,6-7,9H2,1-2H3

InChI Key

RUKBUDXQQDIWMM-UHFFFAOYSA-N

Formula

C14H17NO6

SMILES

CCOC(=O)CCC(=O)OCc1ccc(C)c([N+](=O)[O-])c1

Molecular Weight¹

295.29

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-706.67	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	45.38	kJ/mol	Joback Calculated Property
log10WS	-3.46		Relay (1.0) Calculated Property
logPoct/wat	2.290		Crippen Calculated Property
McVol	216.660	ml/mol	McGowan Calculated Property
Pc	1994.77	kPa	Joback Calculated Property
Inp	[2245.00; 2245.00]
Inp	2245.00		NIST
Inp	2245.00		NIST
Tboil	608.50	K	Relay (1.0) Calculated Property
Tc	851.12	K	Relay (1.0) Calculated Property
Tfus	307.41	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[310.16; 679.44]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			4.11640e+01
Coefficient B			1.12570e+00
Coefficient C			-5.24120e-04
Coefficient D			3.67000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	310.16	J/mol×K	273.00	Calculated Property
Cp,gas	375.44	J/mol×K	353.78	Calculated Property
Cp,gas	434.38	J/mol×K	434.56	Calculated Property
Cp,gas	487.11	J/mol×K	515.33	Calculated Property
Cp,gas	533.74	J/mol×K	596.11	Calculated Property
Cp,gas	574.38	J/mol×K	676.89	Calculated Property
Cp,gas	609.16	J/mol×K	757.67	Calculated Property
Cp,gas	638.18	J/mol×K	838.44	Calculated Property
Cp,gas	661.57	J/mol×K	919.22	Calculated Property
Cp,gas	679.44	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, ethyl 4-methyl-3-nitrobenzyl ester.

Sources

• Cheméo Relay (1.0)
• 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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