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

InChI

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

InChI Key

WLYRVJRUJSHFDQ-UHFFFAOYSA-N

Formula

C19H27NO7

SMILES

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

Molecular Weight¹

381.42

• ω : Acentric Factor.
• 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).
• 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_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
ω	1.1136		Relay (1.0) Calculated Property
ΔfG°	-335.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-915.27	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	56.35	kJ/mol	Joback Calculated Property
ΔvapH°	108.20	kJ/mol	Relay (1.0) Calculated Property
IE	8.73	eV	Relay (1.0) Calculated Property
log10WS	-4.98		Relay (1.0) 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	[2919.00; 2919.00]
Inp	2919.00		NIST
Inp	2919.00		NIST
Tboil	658.43	K	Relay (1.0) Calculated Property
Tc	896.61	K	Relay (1.0) Calculated Property
Tfus	312.36	K	Relay (1.0) Calculated Property
Vc	1.072	m3/kmol	Relay (1.0) 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 4-methoxy-3-nitrobenzyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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