Chemical Properties of Succinic acid, 2-methylhex-3-yl 4-nitrobenzyl ester

InChI

InChI=1S/C18H25NO6/c1-4-5-16(13(2)3)25-18(21)11-10-17(20)24-12-14-6-8-15(9-7-14)19(22)23/h6-9,13,16H,4-5,10-12H2,1-3H3

InChI Key

GQODUCLWMWAXMQ-UHFFFAOYSA-N

Formula

C18H25NO6

SMILES

CCCC(OC(=O)CCC(=O)OCc1ccc([N+](=O)[O-])cc1)C(C)C

Molecular Weight¹

351.39

• 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°	-233.71	kJ/mol	Joback Calculated Property
ΔfH°gas	-700.71	kJ/mol	Joback Calculated Property
ΔfusH°	45.92	kJ/mol	Joback Calculated Property
ΔvapH°	92.73	kJ/mol	Joback Calculated Property
log10WS	-5.20		Crippen Calculated Property
logPoct/wat	3.786		Crippen Calculated Property
McVol	273.020	ml/mol	McGowan Calculated Property
Pc	1587.28	kPa	Joback Calculated Property
Inp	[2557.00; 2557.00]
Inp	2557.00		NIST
Inp	2557.00		NIST
Tboil	946.44	K	Joback Calculated Property
Tc	1172.55	K	Joback Calculated Property
Tfus	589.49	K	Joback Calculated Property
Vc	1.054	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[871.42; 927.01]	J/mol×K	[946.44; 1172.55]
Cp,gas	871.42	J/mol×K	946.44	Joback Calculated Property
Cp,gas	883.89	J/mol×K	984.13	Joback Calculated Property
Cp,gas	895.04	J/mol×K	1021.81	Joback Calculated Property
Cp,gas	904.89	J/mol×K	1059.50	Joback Calculated Property
Cp,gas	913.48	J/mol×K	1097.18	Joback Calculated Property
Cp,gas	920.85	J/mol×K	1134.87	Joback Calculated Property
Cp,gas	927.01	J/mol×K	1172.55	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-methylhex-3-yl 4-nitrobenzyl ester.

Sources

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

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