Chemical Properties of Diethylmalonic acid, monochloride, 2,3-dichlorophenyl ester

InChI

InChI=1S/C13H13Cl3O3/c1-3-13(4-2,11(16)17)12(18)19-9-7-5-6-8(14)10(9)15/h5-7H,3-4H2,1-2H3

InChI Key

QHRQKQSKJXHOJW-UHFFFAOYSA-N

Formula

C13H13Cl3O3

SMILES

CCC(CC)(C(=O)Cl)C(=O)Oc1cccc(Cl)c1Cl

Molecular Weight¹

323.60

• 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).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	33.83	kJ/mol	Joback Calculated Property
IE	8.83	eV	Relay (1.0) Calculated Property
log10WS	-4.95		Relay (1.0) Calculated Property
logPoct/wat	4.471		Crippen Calculated Property
McVol	216.000	ml/mol	McGowan Calculated Property
Inp	[2001.00; 2001.00]
Inp	2001.00		NIST
Inp	2001.00		NIST
Tfus	333.68	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[285.12; 588.81]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			3.27320e+01
Coefficient B			1.10434e+00
Coefficient C			-7.00220e-04
Coefficient D			1.51960e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	285.12	J/mol×K	273.00	Calculated Property
Cp,gas	342.51	J/mol×K	353.78	Calculated Property
Cp,gas	392.87	J/mol×K	434.56	Calculated Property
Cp,gas	436.68	J/mol×K	515.33	Calculated Property
Cp,gas	474.41	J/mol×K	596.11	Calculated Property
Cp,gas	506.55	J/mol×K	676.89	Calculated Property
Cp,gas	533.58	J/mol×K	757.67	Calculated Property
Cp,gas	555.98	J/mol×K	838.44	Calculated Property
Cp,gas	574.23	J/mol×K	919.22	Calculated Property
Cp,gas	588.81	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008839; 0.0001314]	Pa×s	[472.17; 689.51]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.30795e+01
Coefficient B			2.85583e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			472.17
Temperature range, max.			689.51
η	0.0008839	Pa×s	472.17	Calculated Property
η	0.0006586	Pa×s	496.32	Calculated Property
η	0.0005043	Pa×s	520.47	Calculated Property
η	0.0003954	Pa×s	544.62	Calculated Property
η	0.0003164	Pa×s	568.76	Calculated Property
η	0.0002579	Pa×s	592.91	Calculated Property
η	0.0002136	Pa×s	617.06	Calculated Property
η	0.0001794	Pa×s	641.21	Calculated Property
η	0.0001527	Pa×s	665.36	Calculated Property
η	0.0001314	Pa×s	689.51	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, monochloride, 2,3-dichlorophenyl 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.
These property values are available through the Cheméo API. A free account gives you an access key.