Chemical Properties of Diethylmalonic acid, monochloride, 4-chlorophenyl ester

InChI

InChI=1S/C13H14Cl2O3/c1-3-13(4-2,11(15)16)12(17)18-10-7-5-9(14)6-8-10/h5-8H,3-4H2,1-2H3

InChI Key

LOEWEYONZUDHJO-UHFFFAOYSA-N

Formula

C13H14Cl2O3

SMILES

CCC(CC)(C(=O)Cl)C(=O)Oc1ccc(Cl)cc1

Molecular Weight¹

289.15

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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	0.5974		Relay (1.0) Calculated Property
ΔfG°	-222.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-534.15	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.44	kJ/mol	Joback Calculated Property
ΔvapH°	81.64	kJ/mol	Relay (1.0) Calculated Property
IE	8.62	eV	Relay (1.0) Calculated Property
log10WS	-4.50		Relay (1.0) Calculated Property
logPoct/wat	3.817		Crippen Calculated Property
McVol	203.760	ml/mol	McGowan Calculated Property
Pc	2276.24	kPa	Joback Calculated Property
Inp	[1810.00; 1810.00]
Inp	1810.00		NIST
Inp	1810.00		NIST
Tboil	577.88	K	Relay (1.0) Calculated Property
Tc	808.19	K	Relay (1.0) Calculated Property
Tfus	336.61	K	Relay (1.0) Calculated Property
Vc	0.686	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[514.54; 575.13]	J/mol×K	[730.29; 958.68]
Cp,gas	514.54	J/mol×K	730.29	Joback Calculated Property
Cp,gas	526.93	J/mol×K	768.35	Joback Calculated Property
Cp,gas	538.33	J/mol×K	806.42	Joback Calculated Property
Cp,gas	548.79	J/mol×K	844.48	Joback Calculated Property
Cp,gas	558.38	J/mol×K	882.55	Joback Calculated Property
Cp,gas	567.14	J/mol×K	920.61	Joback Calculated Property
Cp,gas	575.13	J/mol×K	958.68	Joback Calculated Property
η	[0.0001180; 0.0010535]	Pa×s	[459.56; 730.29]
η	0.0010535	Pa×s	459.56	Joback Calculated Property
η	0.0006213	Pa×s	504.68	Joback Calculated Property
η	0.0003996	Pa×s	549.80	Joback Calculated Property
η	0.0002748	Pa×s	594.92	Joback Calculated Property
η	0.0001992	Pa×s	640.05	Joback Calculated Property
η	0.0001507	Pa×s	685.17	Joback Calculated Property
η	0.0001180	Pa×s	730.29	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, monochloride, 4-chlorophenyl ester.

Sources

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

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