Chemical Properties of Succinic acid, 2-chloroethyl 4-cyanophenyl ester

InChI

InChI=1S/C13H12ClNO4/c14-7-8-18-12(16)5-6-13(17)19-11-3-1-10(9-15)2-4-11/h1-4H,5-8H2

InChI Key

DGPKDEUHHJQHQR-UHFFFAOYSA-N

Formula

C13H12ClNO4

SMILES

N#Cc1ccc(OC(=O)CCC(=O)OCCCl)cc1

Molecular Weight¹

281.69

• 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°	-185.23	kJ/mol	Joback Calculated Property
ΔfH°gas	-427.05	kJ/mol	Joback Calculated Property
ΔfusH°	34.35	kJ/mol	Joback Calculated Property
ΔvapH°	80.64	kJ/mol	Joback Calculated Property
log10WS	-2.83		Crippen Calculated Property
logPoct/wat	2.026		Crippen Calculated Property
McVol	198.770	ml/mol	McGowan Calculated Property
Pc	2224.99	kPa	Joback Calculated Property
Inp	[2282.00; 2282.00]
Inp	2282.00		NIST
Inp	2282.00		NIST
Tboil	820.59	K	Joback Calculated Property
Tc	1044.14	K	Joback Calculated Property
Tfus	514.44	K	Joback Calculated Property
Vc	0.778	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[528.78; 574.76]	J/mol×K	[820.59; 1044.14]
Cp,gas	528.78	J/mol×K	820.59	Joback Calculated Property
Cp,gas	538.70	J/mol×K	857.85	Joback Calculated Property
Cp,gas	547.71	J/mol×K	895.11	Joback Calculated Property
Cp,gas	555.82	J/mol×K	932.36	Joback Calculated Property
Cp,gas	563.02	J/mol×K	969.62	Joback Calculated Property
Cp,gas	569.33	J/mol×K	1006.88	Joback Calculated Property
Cp,gas	574.76	J/mol×K	1044.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-chloroethyl 4-cyanophenyl ester.

Sources

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

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