Chemical Properties of Succinic acid, ethyl 2-(3-nitrophenyl)ethyl ester

InChI

InChI=1S/C14H17NO6/c1-2-20-13(16)6-7-14(17)21-9-8-11-4-3-5-12(10-11)15(18)19/h3-5,10H,2,6-9H2,1H3

InChI Key

KSBXBSQMJIIOFV-UHFFFAOYSA-N

Formula

C14H17NO6

SMILES

CCOC(=O)CCC(=O)OCCc1cccc([N+](=O)[O-])c1

Molecular Weight¹

295.29

• 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	0.8643		Relay (1.0) Calculated Property
ΔfG°	-262.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-692.37	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.60	kJ/mol	Joback Calculated Property
ΔvapH°	104.18	kJ/mol	Relay (1.0) Calculated Property
IE	9.37	eV	Relay (1.0) Calculated Property
log10WS	-3.27		Relay (1.0) Calculated Property
logPoct/wat	2.024		Crippen Calculated Property
McVol	216.660	ml/mol	McGowan Calculated Property
Pc	2179.52	kPa	Joback Calculated Property
Inp	[2289.00; 2289.00]
Inp	2289.00		NIST
Inp	2289.00		NIST
Tboil	621.80	K	Relay (1.0) Calculated Property
Tc	848.32	K	Relay (1.0) Calculated Property
Tfus	291.36	K	Relay (1.0) Calculated Property
Vc	0.790	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[642.35; 696.31]	J/mol×K	[855.80; 1081.29]
Cp,gas	642.35	J/mol×K	855.80	Joback Calculated Property
Cp,gas	654.06	J/mol×K	893.38	Joback Calculated Property
Cp,gas	664.66	J/mol×K	930.96	Joback Calculated Property
Cp,gas	674.17	J/mol×K	968.55	Joback Calculated Property
Cp,gas	682.61	J/mol×K	1006.13	Joback Calculated Property
Cp,gas	689.98	J/mol×K	1043.71	Joback Calculated Property
Cp,gas	696.31	J/mol×K	1081.29	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, ethyl 2-(3-nitrophenyl)ethyl ester.

Sources

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

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