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

InChI

InChI=1S/C15H19NO6/c1-3-8-21-14(17)6-7-15(18)22-10-12-4-5-13(16(19)20)11(2)9-12/h4-5,9H,3,6-8,10H2,1-2H3

InChI Key

LDIWEZXQECSDQW-UHFFFAOYSA-N

Formula

C15H19NO6

SMILES

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

Molecular Weight¹

309.31

• 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	0.9042		Relay (1.0) Calculated Property
ΔfG°	-263.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-716.32	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	44.80	kJ/mol	Joback Calculated Property
ΔvapH°	96.83	kJ/mol	Relay (1.0) Calculated Property
IE	9.08	eV	Relay (1.0) Calculated Property
log10WS	-3.89		Relay (1.0) Calculated Property
logPoct/wat	2.680		Crippen Calculated Property
McVol	230.750	ml/mol	McGowan Calculated Property
Pc	1970.05	kPa	Joback Calculated Property
Inp	[2349.00; 2349.00]
Inp	2349.00		NIST
Inp	2349.00		NIST
Tboil	617.86	K	Relay (1.0) Calculated Property
Tc	853.45	K	Relay (1.0) Calculated Property
Tfus	295.04	K	Relay (1.0) Calculated Property
Vc	0.842	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[696.82; 750.76]	J/mol×K	[883.66; 1108.06]
Cp,gas	696.82	J/mol×K	883.66	Joback Calculated Property
Cp,gas	708.65	J/mol×K	921.06	Joback Calculated Property
Cp,gas	719.33	J/mol×K	958.46	Joback Calculated Property
Cp,gas	728.87	J/mol×K	995.86	Joback Calculated Property
Cp,gas	737.28	J/mol×K	1033.26	Joback Calculated Property
Cp,gas	744.57	J/mol×K	1070.66	Joback Calculated Property
Cp,gas	750.76	J/mol×K	1108.06	Joback Calculated Property

Similar Compounds

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

Sources

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

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