Chemical Properties of Succinic acid, di(4-chloro-3-nitrobenzyl) ester

InChI

InChI=1S/C18H14Cl2N2O8/c19-13-3-1-11(7-15(13)21(25)26)9-29-17(23)5-6-18(24)30-10-12-2-4-14(20)16(8-12)22(27)28/h1-4,7-8H,5-6,9-10H2

InChI Key

HZLBBERKQRTVOO-UHFFFAOYSA-N

Formula

C18H14Cl2N2O8

SMILES

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

Molecular Weight¹

457.22

• 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	1.0989		Relay (1.0) Calculated Property
ΔfG°	-133.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-590.99	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	65.59	kJ/mol	Joback Calculated Property
ΔvapH°	132.07	kJ/mol	Relay (1.0) Calculated Property
IE	9.35	eV	Relay (1.0) Calculated Property
log10WS	-5.99		Relay (1.0) Calculated Property
logPoct/wat	4.377		Crippen Calculated Property
McVol	291.160	ml/mol	McGowan Calculated Property
Pc	1887.08	kPa	Joback Calculated Property
Inp	[3675.00; 3675.00]
Inp	3675.00		NIST
Inp	3675.00		NIST
Tboil	682.16	K	Relay (1.0) Calculated Property
Tc	1038.36	K	Relay (1.0) Calculated Property
Tfus	374.02	K	Relay (1.0) Calculated Property
Vc	1.016	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[838.14; 853.46]	J/mol×K	[1215.64; 1493.60]
Cp,gas	851.98	J/mol×K	1215.64	Joback Calculated Property
Cp,gas	853.46	J/mol×K	1261.97	Joback Calculated Property
Cp,gas	853.36	J/mol×K	1308.29	Joback Calculated Property
Cp,gas	851.73	J/mol×K	1354.62	Joback Calculated Property
Cp,gas	848.61	J/mol×K	1400.94	Joback Calculated Property
Cp,gas	844.07	J/mol×K	1447.27	Joback Calculated Property
Cp,gas	838.14	J/mol×K	1493.60	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, di(4-chloro-3-nitrobenzyl) ester.

Sources

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

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