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

InChI

InChI=1S/C18H24ClNO6/c1-4-6-15(12(2)3)26-17(22)10-9-16(21)25-11-13-7-5-8-14(19)18(13)20(23)24/h5,7-8,12,15H,4,6,9-11H2,1-3H3

InChI Key

XNSVPJCQVGURET-UHFFFAOYSA-N

Formula

C18H24ClNO6

SMILES

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

Molecular Weight¹

385.84

• 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	0.9418		Relay (... Calculated Property
ΔfG°	-255.27	kJ/mol	Joback Calculated Property
ΔfH°gas	-820.42	kJ/mol	Relay (... Calculated Property
ΔfusH°	49.72	kJ/mol	Joback Calculated Property
ΔvapH°	103.50	kJ/mol	Relay (... Calculated Property
IE	9.23	eV	Relay (... Calculated Property
log10WS	-5.06		Relay (... Calculated Property
logPoct/wat	4.439		Crippen Calculated Property
McVol	285.260	ml/mol	McGowan Calculated Property
Pc	1523.50	kPa	Joback Calculated Property
Inp	[2585.00; 2585.00]
Inp	2585.00		NIST
Inp	2585.00		NIST
Tboil	642.94	K	Relay (... Calculated Property
Tc	894.53	K	Relay (... Calculated Property
Tfus	303.96	K	Relay (... Calculated Property
Vc	1.005	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[890.67; 936.61]	J/mol×K	[988.85; 1220.58]
Cp,gas	890.67	J/mol×K	988.85	Joback Calculated Property
Cp,gas	901.63	J/mol×K	1027.47	Joback Calculated Property
Cp,gas	911.24	J/mol×K	1066.09	Joback Calculated Property
Cp,gas	919.51	J/mol×K	1104.71	Joback Calculated Property
Cp,gas	926.48	J/mol×K	1143.34	Joback Calculated Property
Cp,gas	932.17	J/mol×K	1181.96	Joback Calculated Property
Cp,gas	936.61	J/mol×K	1220.58	Joback Calculated Property

Similar Compounds

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

Sources

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

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