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

InChI

InChI=1S/C25H39NO6/c1-2-3-4-5-6-7-8-9-10-11-12-19-31-24(27)16-17-25(28)32-20-18-22-14-13-15-23(21-22)26(29)30/h13-15,21H,2-12,16-20H2,1H3

InChI Key

MXGPKMCESOCSTA-UHFFFAOYSA-N

Formula

C25H39NO6

SMILES

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

Molecular Weight¹

449.58

• 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	1.2918		Relay (1.0) Calculated Property
ΔfG°	-169.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-928.74	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	71.09	kJ/mol	Joback Calculated Property
ΔvapH°	138.96	kJ/mol	Relay (1.0) Calculated Property
IE	9.33	eV	Relay (1.0) Calculated Property
log10WS	-6.86		Relay (1.0) Calculated Property
logPoct/wat	6.315		Crippen Calculated Property
McVol	371.650	ml/mol	McGowan Calculated Property
Pc	977.78	kPa	Joback Calculated Property
Inp	[3379.00; 3379.00]
Inp	3379.00		NIST
Inp	3379.00		NIST
Tboil	699.82	K	Relay (1.0) Calculated Property
Tc	929.52	K	Relay (1.0) Calculated Property
Tfus	312.38	K	Relay (1.0) Calculated Property
Vc	1.379	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1291.28; 1345.73]	J/mol×K	[1107.48; 1359.81]
Cp,gas	1291.28	J/mol×K	1107.48	Joback Calculated Property
Cp,gas	1304.53	J/mol×K	1149.54	Joback Calculated Property
Cp,gas	1316.00	J/mol×K	1191.59	Joback Calculated Property
Cp,gas	1325.78	J/mol×K	1233.65	Joback Calculated Property
Cp,gas	1333.94	J/mol×K	1275.70	Joback Calculated Property
Cp,gas	1340.56	J/mol×K	1317.76	Joback Calculated Property
Cp,gas	1345.73	J/mol×K	1359.81	Joback Calculated Property

Similar Compounds

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

Sources

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

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