Chemical Properties of Diethylmalonic acid, monochloride, 2-chlorophenyl ester

InChI

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

InChI Key

NNXBFWGWMZXTHU-UHFFFAOYSA-N

Formula

C13H14Cl2O3

SMILES

CCC(CC)(C(=O)Cl)C(=O)Oc1ccccc1Cl

Molecular Weight¹

289.15

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	30.03	kJ/mol	Joback Calculated Property
ΔvapH°	81.47	kJ/mol	Relay (1.0) Calculated Property
IE	8.75	eV	Relay (1.0) Calculated Property
log10WS	-4.22		Relay (1.0) Calculated Property
logPoct/wat	3.817		Crippen Calculated Property
McVol	203.760	ml/mol	McGowan Calculated Property
Inp	[1820.00; 1820.00]
Inp	1820.00		NIST
Inp	1820.00		NIST
Tboil	562.21	K	Relay (1.0) Calculated Property
Tfus	324.21	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[511.47; 572.49]	J/mol×K	[712.42; 939.15]
Cp,gas	511.47	J/mol×K	712.42	Joback Calculated Property
Cp,gas	524.10	J/mol×K	750.21	Joback Calculated Property
Cp,gas	535.66	J/mol×K	788.00	Joback Calculated Property
Cp,gas	546.23	J/mol×K	825.78	Joback Calculated Property
Cp,gas	555.86	J/mol×K	863.57	Joback Calculated Property
Cp,gas	564.59	J/mol×K	901.36	Joback Calculated Property
Cp,gas	572.49	J/mol×K	939.15	Joback Calculated Property
η	[0.0001060; 0.0013258]	Pa×s	[429.73; 712.42]
η	0.0013258	Pa×s	429.73	Joback Calculated Property
η	0.0007068	Pa×s	476.85	Joback Calculated Property
η	0.0004219	Pa×s	523.96	Joback Calculated Property
η	0.0002743	Pa×s	571.08	Joback Calculated Property
η	0.0001904	Pa×s	618.19	Joback Calculated Property
η	0.0001391	Pa×s	665.31	Joback Calculated Property
η	0.0001060	Pa×s	712.42	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, monochloride, 2-chlorophenyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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