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

InChI

InChI=1S/C17H23NO6/c1-2-3-4-11-23-16(19)8-9-17(20)24-12-10-14-6-5-7-15(13-14)18(21)22/h5-7,13H,2-4,8-12H2,1H3

InChI Key

ITZHKXMAUNZEBV-UHFFFAOYSA-N

Formula

C17H23NO6

SMILES

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

Molecular Weight¹

337.37

• 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	0.9936		Relay (1.0) Calculated Property
ΔfG°	-237.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-751.16	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	50.37	kJ/mol	Joback Calculated Property
ΔvapH°	109.60	kJ/mol	Relay (1.0) Calculated Property
IE	9.28	eV	Relay (1.0) Calculated Property
log10WS	-4.33		Relay (1.0) Calculated Property
logPoct/wat	3.194		Crippen Calculated Property
McVol	258.930	ml/mol	McGowan Calculated Property
Pc	1693.51	kPa	Joback Calculated Property
Inp	[2588.00; 2588.00]
Inp	2588.00		NIST
Inp	2588.00		NIST
Tboil	643.61	K	Relay (1.0) Calculated Property
Tc	872.05	K	Relay (1.0) Calculated Property
Tfus	290.30	K	Relay (1.0) Calculated Property
Vc	0.946	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[812.38; 868.15]	J/mol×K	[924.44; 1146.52]
Cp,gas	812.38	J/mol×K	924.44	Joback Calculated Property
Cp,gas	824.62	J/mol×K	961.45	Joback Calculated Property
Cp,gas	835.65	J/mol×K	998.47	Joback Calculated Property
Cp,gas	845.49	J/mol×K	1035.48	Joback Calculated Property
Cp,gas	854.17	J/mol×K	1072.49	Joback Calculated Property
Cp,gas	861.72	J/mol×K	1109.51	Joback Calculated Property
Cp,gas	868.15	J/mol×K	1146.52	Joback Calculated Property

Similar Compounds

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

Sources

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

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