Chemical Properties of Succinic acid, heptyl 3-methoxy-4-nitrobenzyl ester

InChI

InChI=1S/C19H27NO7/c1-3-4-5-6-7-12-26-18(21)10-11-19(22)27-14-15-8-9-16(20(23)24)17(13-15)25-2/h8-9,13H,3-7,10-12,14H2,1-2H3

InChI Key

NHFQZQXGISJBJX-UHFFFAOYSA-N

Formula

C19H27NO7

SMILES

CCCCCCCOC(=O)CCC(=O)OCc1ccc([N+](=O)[O-])c(OC)c1

Molecular Weight¹

381.42

• 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°	-335.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-854.48	kJ/mol	Joback Calculated Property
ΔfusH°	56.35	kJ/mol	Joback Calculated Property
ΔvapH°	98.80	kJ/mol	Joback Calculated Property
log10WS	-5.45		Crippen Calculated Property
logPoct/wat	3.940		Crippen Calculated Property
McVol	292.980	ml/mol	McGowan Calculated Property
Pc	1419.71	kPa	Joback Calculated Property
Inp	[2897.00; 2897.00]
Inp	2897.00		NIST
Inp	2897.00		NIST
Tboil	997.60	K	Joback Calculated Property
Tc	1224.60	K	Joback Calculated Property
Tfus	665.51	K	Joback Calculated Property
Vc	1.139	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[953.95; 999.80]	J/mol×K	[997.60; 1224.60]
Cp,gas	953.95	J/mol×K	997.60	Joback Calculated Property
Cp,gas	965.34	J/mol×K	1035.43	Joback Calculated Property
Cp,gas	975.22	J/mol×K	1073.27	Joback Calculated Property
Cp,gas	983.60	J/mol×K	1111.10	Joback Calculated Property
Cp,gas	990.48	J/mol×K	1148.93	Joback Calculated Property
Cp,gas	995.88	J/mol×K	1186.76	Joback Calculated Property
Cp,gas	999.80	J/mol×K	1224.60	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, heptyl 3-methoxy-4-nitrobenzyl ester.

Sources

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

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