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

InChI

InChI=1S/C24H37NO6/c1-2-3-4-5-6-7-8-9-10-11-18-30-23(26)15-16-24(27)31-19-17-21-13-12-14-22(20-21)25(28)29/h12-14,20H,2-11,15-19H2,1H3

InChI Key

SYVPCZWYVCBLDF-UHFFFAOYSA-N

Formula

C24H37NO6

SMILES

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

Molecular Weight¹

435.56

• 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°	71.67	kJ/mol	Joback Calculated Property
ΔvapH°	136.35	kJ/mol	Relay (1.0) Calculated Property
IE	9.30	eV	Relay (1.0) Calculated Property
log10WS	-6.58		Relay (1.0) Calculated Property
logPoct/wat	5.925		Crippen Calculated Property
McVol	357.560	ml/mol	McGowan Calculated Property
Pc	986.40	kPa	Joback Calculated Property
Inp	[3286.00; 3286.00]
Inp	3286.00		NIST
Inp	3286.00		NIST
Tboil	692.97	K	Relay (1.0) Calculated Property
Tfus	303.21	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	[1216.80; 1270.20]	J/mol×K	[1048.66; 1284.28]
Cp,gas	1216.80	J/mol×K	1048.66	Joback Calculated Property
Cp,gas	1229.69	J/mol×K	1087.93	Joback Calculated Property
Cp,gas	1240.89	J/mol×K	1127.20	Joback Calculated Property
Cp,gas	1250.48	J/mol×K	1166.47	Joback Calculated Property
Cp,gas	1258.52	J/mol×K	1205.74	Joback Calculated Property
Cp,gas	1265.07	J/mol×K	1245.01	Joback Calculated Property
Cp,gas	1270.20	J/mol×K	1284.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, dodecyl 2-(3-nitrophenyl)ethyl 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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