Chemical Properties of Succinic acid, cyclohexylmethyl 3-nitrobenzyl ester

InChI

InChI=1S/C18H23NO6/c20-17(24-12-14-5-2-1-3-6-14)9-10-18(21)25-13-15-7-4-8-16(11-15)19(22)23/h4,7-8,11,14H,1-3,5-6,9-10,12-13H2

InChI Key

JUYJNLJTJOKVRF-UHFFFAOYSA-N

Formula

C18H23NO6

SMILES

O=C(CCC(=O)OCC1CCCCC1)OCc1cccc([N+](=O)[O-])c1

Molecular Weight¹

349.38

• 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°	-204.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-635.83	kJ/mol	Joback Calculated Property
ΔfusH°	44.80	kJ/mol	Joback Calculated Property
ΔvapH°	93.93	kJ/mol	Joback Calculated Property
log10WS	-4.98		Crippen Calculated Property
logPoct/wat	3.542		Crippen Calculated Property
McVol	262.160	ml/mol	McGowan Calculated Property
Pc	1856.31	kPa	Joback Calculated Property
Inp	[2875.00; 2875.00]
Inp	2875.00		NIST
Inp	2875.00		NIST
Tboil	966.87	K	Joback Calculated Property
Tc	1208.73	K	Joback Calculated Property
Tfus	626.87	K	Joback Calculated Property
Vc	0.999	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[862.54; 912.56]	J/mol×K	[966.87; 1208.73]
Cp,gas	862.54	J/mol×K	966.87	Joback Calculated Property
Cp,gas	874.81	J/mol×K	1007.18	Joback Calculated Property
Cp,gas	885.45	J/mol×K	1047.49	Joback Calculated Property
Cp,gas	894.51	J/mol×K	1087.80	Joback Calculated Property
Cp,gas	902.02	J/mol×K	1128.11	Joback Calculated Property
Cp,gas	908.02	J/mol×K	1168.42	Joback Calculated Property
Cp,gas	912.56	J/mol×K	1208.73	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, cyclohexylmethyl 3-nitrobenzyl ester.

Sources

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

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