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

• 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	1.1467		Relay (1.0) Calculated Property
ΔfG°	-203.57	kJ/mol	Joback Calculated Property
ΔfH°gas	-839.22	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	60.73	kJ/mol	Joback Calculated Property
ΔvapH°	123.46	kJ/mol	Relay (1.0) Calculated Property
IE	9.25	eV	Relay (1.0) Calculated Property
log10WS	-5.72		Relay (1.0) 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	672.32	K	Relay (1.0) Calculated Property
Tc	903.03	K	Relay (1.0) Calculated Property
Tfus	300.45	K	Relay (1.0) Calculated Property
Vc	1.162	m3/kmol	Relay (1.0) 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

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.