Chemical Properties of Succinic acid, hexyl 3-methyl-4-nitrobenzyl ester

InChI

InChI=1S/C18H25NO6/c1-3-4-5-6-11-24-17(20)9-10-18(21)25-13-15-7-8-16(19(22)23)14(2)12-15/h7-8,12H,3-6,9-11,13H2,1-2H3

InChI Key

VSIFPNTYHAVQCN-UHFFFAOYSA-N

Formula

C18H25NO6

SMILES

CCCCCCOC(=O)CCC(=O)OCc1ccc([N+](=O)[O-])c(C)c1

Molecular Weight¹

351.39

• 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	1.0260		Relay (1.0) Calculated Property
ΔfG°	-238.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-780.87	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	52.57	kJ/mol	Joback Calculated Property
ΔvapH°	107.19	kJ/mol	Relay (1.0) Calculated Property
IE	8.98	eV	Relay (1.0) Calculated Property
log10WS	-4.93		Relay (1.0) Calculated Property
logPoct/wat	3.850		Crippen Calculated Property
McVol	273.020	ml/mol	McGowan Calculated Property
Pc	1548.78	kPa	Joback Calculated Property
Inp	[2643.00; 2643.00]
Inp	2643.00		NIST
Inp	2643.00		NIST
Tboil	639.59	K	Relay (1.0) Calculated Property
Tc	881.08	K	Relay (1.0) Calculated Property
Tfus	289.59	K	Relay (1.0) Calculated Property
Vc	0.997	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[869.16; 923.95]	J/mol×K	[952.30; 1175.63]
Cp,gas	869.16	J/mol×K	952.30	Joback Calculated Property
Cp,gas	881.41	J/mol×K	989.52	Joback Calculated Property
Cp,gas	892.39	J/mol×K	1026.74	Joback Calculated Property
Cp,gas	902.11	J/mol×K	1063.97	Joback Calculated Property
Cp,gas	910.59	J/mol×K	1101.19	Joback Calculated Property
Cp,gas	917.87	J/mol×K	1138.41	Joback Calculated Property
Cp,gas	923.95	J/mol×K	1175.63	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, hexyl 3-methyl-4-nitrobenzyl ester.

Sources

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

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