Chemical Properties of Succinic acid, 2-nitrophenethyl nonyl ester

InChI

InChI=1S/C21H31NO6/c1-2-3-4-5-6-7-10-16-27-20(23)13-14-21(24)28-17-15-18-11-8-9-12-19(18)22(25)26/h8-9,11-12H,2-7,10,13-17H2,1H3

InChI Key

MRBWLEBDPIJATP-UHFFFAOYSA-N

Formula

C21H31NO6

SMILES

CCCCCCCCCOC(=O)CCC(=O)OCCc1ccccc1[N+](=O)[O-]

Molecular Weight¹

393.47

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	63.90	kJ/mol	Joback Calculated Property
ΔvapH°	120.96	kJ/mol	Relay (1.0) Calculated Property
IE	9.22	eV	Relay (1.0) Calculated Property
log10WS	-5.62		Relay (1.0) Calculated Property
logPoct/wat	4.755		Crippen Calculated Property
McVol	315.290	ml/mol	McGowan Calculated Property
Pc	1192.35	kPa	Joback Calculated Property
Inp	[2917.00; 2917.00]
Inp	2917.00		NIST
Inp	2917.00		NIST
Tboil	669.47	K	Relay (1.0) Calculated Property
Tfus	296.57	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1036.59; 1091.80]	J/mol×K	[980.02; 1202.21]
Cp,gas	1036.59	J/mol×K	980.02	Joback Calculated Property
Cp,gas	1049.28	J/mol×K	1017.05	Joback Calculated Property
Cp,gas	1060.51	J/mol×K	1054.08	Joback Calculated Property
Cp,gas	1070.34	J/mol×K	1091.11	Joback Calculated Property
Cp,gas	1078.80	J/mol×K	1128.15	Joback Calculated Property
Cp,gas	1085.94	J/mol×K	1165.18	Joback Calculated Property
Cp,gas	1091.80	J/mol×K	1202.21	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-nitrophenethyl 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.
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