Chemical Properties of Dimethylmalonic acid, propyl 2,3,5-trichlorophenyl ester

InChI

InChI=1S/C14H15Cl3O4/c1-4-5-20-12(18)14(2,3)13(19)21-10-7-8(15)6-9(16)11(10)17/h6-7H,4-5H2,1-3H3

InChI Key

PEGMVXZLURBLDL-UHFFFAOYSA-N

Formula

C14H15Cl3O4

SMILES

CCCOC(=O)C(C)(C)C(=O)Oc1cc(Cl)cc(Cl)c1Cl

Molecular Weight¹

353.62

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	38.80	kJ/mol	Joback Calculated Property
ΔvapH°	87.92	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	4.532		Crippen Calculated Property
McVol	235.960	ml/mol	McGowan Calculated Property
Inp	[2143.00; 2143.00]
Inp	2143.00		NIST
Inp	2143.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[324.30; 656.45]	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			6.41720e+01
Coefficient B			1.11306e+00
Coefficient C			-6.11680e-04
Coefficient D			9.09000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	324.30	J/mol×K	273.00	Calculated Property
Cp,gas	385.42	J/mol×K	353.78	Calculated Property
Cp,gas	439.81	J/mol×K	434.56	Calculated Property
Cp,gas	487.77	J/mol×K	515.33	Calculated Property
Cp,gas	529.57	J/mol×K	596.11	Calculated Property
Cp,gas	565.52	J/mol×K	676.89	Calculated Property
Cp,gas	595.90	J/mol×K	757.67	Calculated Property
Cp,gas	620.98	J/mol×K	838.44	Calculated Property
Cp,gas	641.07	J/mol×K	919.22	Calculated Property
Cp,gas	656.45	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005630; 0.0000819]	Pa×s	[488.36; 707.21]	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			-1.37118e+01
Coefficient B			3.04226e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			488.36
Temperature range, max.			707.21
η	0.0005630	Pa×s	488.36	Calculated Property
η	0.0004190	Pa×s	512.68	Calculated Property
η	0.0003203	Pa×s	536.99	Calculated Property
η	0.0002506	Pa×s	561.31	Calculated Property
η	0.0002001	Pa×s	585.63	Calculated Property
η	0.0001626	Pa×s	609.94	Calculated Property
η	0.0001343	Pa×s	634.26	Calculated Property
η	0.0001125	Pa×s	658.58	Calculated Property
η	0.0000955	Pa×s	682.89	Calculated Property
η	0.0000819	Pa×s	707.21	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, propyl 2,3,5-trichlorophenyl 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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