Chemical Properties of Succinic acid, 2-nitrobenzyl nonyl ester

InChI

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

InChI Key

USAGVWIJWWDXQF-UHFFFAOYSA-N

Formula

C20H29NO6

SMILES

CCCCCCCCCOC(=O)CCC(=O)OCc1ccccc1[N+](=O)[O-]

Molecular Weight¹

379.45

• 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°	61.31	kJ/mol	Joback Calculated Property
ΔvapH°	116.69	kJ/mol	Relay (1.0) Calculated Property
IE	9.30	eV	Relay (1.0) Calculated Property
log10WS	-5.54		Relay (1.0) Calculated Property
logPoct/wat	4.712		Crippen Calculated Property
McVol	301.200	ml/mol	McGowan Calculated Property
Pc	1275.51	kPa	Joback Calculated Property
Inp	[2842.00; 2842.00]
Inp	2842.00		NIST
Inp	2842.00		NIST
Tboil	657.36	K	Relay (1.0) Calculated Property
Tfus	295.76	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	[977.39; 1032.98]	J/mol×K	[957.14; 1176.86]
Cp,gas	977.39	J/mol×K	957.14	Joback Calculated Property
Cp,gas	990.02	J/mol×K	993.76	Joback Calculated Property
Cp,gas	1001.25	J/mol×K	1030.38	Joback Calculated Property
Cp,gas	1011.12	J/mol×K	1067.00	Joback Calculated Property
Cp,gas	1019.67	J/mol×K	1103.62	Joback Calculated Property
Cp,gas	1026.94	J/mol×K	1140.24	Joback Calculated Property
Cp,gas	1032.98	J/mol×K	1176.86	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-nitrobenzyl 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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