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

InChI

InChI=1S/C19H27NO6/c1-2-3-4-5-6-13-25-18(21)10-11-19(22)26-14-12-16-8-7-9-17(15-16)20(23)24/h7-9,15H,2-6,10-14H2,1H3

InChI Key

ORELCKAUHDSEID-UHFFFAOYSA-N

Formula

C19H27NO6

SMILES

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

Molecular Weight¹

365.42

• 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°	-220.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-710.79	kJ/mol	Joback Calculated Property
ΔfusH°	55.55	kJ/mol	Joback Calculated Property
ΔvapH°	95.73	kJ/mol	Joback Calculated Property
log10WS	-5.25		Crippen Calculated Property
logPoct/wat	3.974		Crippen Calculated Property
McVol	287.110	ml/mol	McGowan Calculated Property
Pc	1454.57	kPa	Joback Calculated Property
Inp	[2793.00; 2793.00]
Inp	2793.00		NIST
Inp	2793.00		NIST
Tboil	970.20	K	Joback Calculated Property
Tc	1193.92	K	Joback Calculated Property
Tfus	630.76	K	Joback Calculated Property
Vc	1.121	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[929.17; 985.26]	J/mol×K	[970.20; 1193.92]
Cp,gas	929.17	J/mol×K	970.20	Joback Calculated Property
Cp,gas	941.66	J/mol×K	1007.49	Joback Calculated Property
Cp,gas	952.85	J/mol×K	1044.77	Joback Calculated Property
Cp,gas	962.77	J/mol×K	1082.06	Joback Calculated Property
Cp,gas	971.45	J/mol×K	1119.34	Joback Calculated Property
Cp,gas	978.94	J/mol×K	1156.63	Joback Calculated Property
Cp,gas	985.26	J/mol×K	1193.92	Joback Calculated Property

Similar Compounds

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

Sources

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

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