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

InChI

InChI=1S/C21H31NO6/c1-2-3-4-5-6-7-8-15-27-20(23)12-13-21(24)28-16-14-18-10-9-11-19(17-18)22(25)26/h9-11,17H,2-8,12-16H2,1H3

InChI Key

KLVLJBONZKUUCG-UHFFFAOYSA-N

Formula

C21H31NO6

SMILES

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

Molecular Weight¹

393.47

• 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).
• 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
ΔfG°	-203.57	kJ/mol	Joback Calculated Property
ΔfH°gas	-752.07	kJ/mol	Joback Calculated Property
ΔfusH°	60.73	kJ/mol	Joback Calculated Property
ΔvapH°	100.18	kJ/mol	Joback Calculated Property
log10WS	-6.09		Crippen Calculated Property
logPoct/wat	4.755		Crippen Calculated Property
McVol	315.290	ml/mol	McGowan Calculated Property
Pc	1262.85	kPa	Joback Calculated Property
Inp	[2991.00; 2991.00]
Inp	2991.00		NIST
Inp	2991.00		NIST
Tboil	1015.96	K	Joback Calculated Property
Tc	1244.92	K	Joback Calculated Property
Tfus	653.30	K	Joback Calculated Property
Vc	1.234	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1048.19; 1104.09]	J/mol×K	[1015.96; 1244.92]
Cp,gas	1048.19	J/mol×K	1015.96	Joback Calculated Property
Cp,gas	1060.90	J/mol×K	1054.12	Joback Calculated Property
Cp,gas	1072.19	J/mol×K	1092.28	Joback Calculated Property
Cp,gas	1082.12	J/mol×K	1130.44	Joback Calculated Property
Cp,gas	1090.71	J/mol×K	1168.60	Joback Calculated Property
Cp,gas	1098.02	J/mol×K	1206.76	Joback Calculated Property
Cp,gas	1104.09	J/mol×K	1244.92	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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