Chemical Properties of Succinic acid, 3-methylbut-2-yl 3-nitrobenzyl ester

InChI

InChI=1S/C16H21NO6/c1-11(2)12(3)23-16(19)8-7-15(18)22-10-13-5-4-6-14(9-13)17(20)21/h4-6,9,11-12H,7-8,10H2,1-3H3

InChI Key

RDGDBSPRCWADRH-UHFFFAOYSA-N

Formula

C16H21NO6

SMILES

CC(C)C(C)OC(=O)CCC(=O)OCc1cccc([N+](=O)[O-])c1

Molecular Weight¹

323.34

• 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°	-250.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-659.43	kJ/mol	Joback Calculated Property
ΔfusH°	40.74	kJ/mol	Joback Calculated Property
ΔvapH°	88.27	kJ/mol	Joback Calculated Property
log10WS	-4.36		Crippen Calculated Property
logPoct/wat	3.006		Crippen Calculated Property
McVol	244.840	ml/mol	McGowan Calculated Property
Pc	1861.11	kPa	Joback Calculated Property
Inp	[2431.00; 2431.00]
Inp	2431.00		NIST
Inp	2431.00		NIST
Tboil	900.68	K	Joback Calculated Property
Tc	1128.23	K	Joback Calculated Property
Tfus	566.95	K	Joback Calculated Property
Vc	0.942	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[756.02; 811.41]	J/mol×K	[900.68; 1128.23]
Cp,gas	756.02	J/mol×K	900.68	Joback Calculated Property
Cp,gas	768.32	J/mol×K	938.61	Joback Calculated Property
Cp,gas	779.35	J/mol×K	976.53	Joback Calculated Property
Cp,gas	789.16	J/mol×K	1014.46	Joback Calculated Property
Cp,gas	797.75	J/mol×K	1052.38	Joback Calculated Property
Cp,gas	805.16	J/mol×K	1090.31	Joback Calculated Property
Cp,gas	811.41	J/mol×K	1128.23	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3-methylbut-2-yl 3-nitrobenzyl ester.

Sources

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

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