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

InChI

InChI=1S/C20H29NO6/c1-2-3-4-5-6-7-14-26-19(22)11-12-20(23)27-15-13-17-9-8-10-18(16-17)21(24)25/h8-10,16H,2-7,11-15H2,1H3

InChI Key

UHVCABXKSACGNB-UHFFFAOYSA-N

Formula

C20H29NO6

SMILES

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

Molecular Weight¹

379.45

• 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	1.1093		Relay (1.0) Calculated Property
ΔfG°	-211.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-816.84	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	58.14	kJ/mol	Joback Calculated Property
ΔvapH°	119.62	kJ/mol	Relay (1.0) Calculated Property
IE	9.24	eV	Relay (1.0) Calculated Property
log10WS	-5.41		Relay (1.0) Calculated Property
logPoct/wat	4.364		Crippen Calculated Property
McVol	301.200	ml/mol	McGowan Calculated Property
Pc	1353.63	kPa	Joback Calculated Property
Inp	[2893.00; 2893.00]
Inp	2893.00		NIST
Inp	2893.00		NIST
Tboil	665.37	K	Relay (1.0) Calculated Property
Tc	895.70	K	Relay (1.0) Calculated Property
Tfus	297.27	K	Relay (1.0) Calculated Property
Vc	1.108	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[988.43; 1044.48]	J/mol×K	[993.08; 1218.94]
Cp,gas	988.43	J/mol×K	993.08	Joback Calculated Property
Cp,gas	1001.03	J/mol×K	1030.72	Joback Calculated Property
Cp,gas	1012.27	J/mol×K	1068.37	Joback Calculated Property
Cp,gas	1022.20	J/mol×K	1106.01	Joback Calculated Property
Cp,gas	1030.85	J/mol×K	1143.65	Joback Calculated Property
Cp,gas	1038.27	J/mol×K	1181.30	Joback Calculated Property
Cp,gas	1044.48	J/mol×K	1218.94	Joback Calculated Property

Similar Compounds

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

Sources

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

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