Chemical Properties of Dimethylmalonic acid, 2,5-dichlorophenyl propyl ester

InChI

InChI=1S/C14H16Cl2O4/c1-4-7-19-12(17)14(2,3)13(18)20-11-8-9(15)5-6-10(11)16/h5-6,8H,4,7H2,1-3H3

InChI Key

NKOYRWAXUGHIPI-UHFFFAOYSA-N

Formula

C14H16Cl2O4

SMILES

CCCOC(=O)C(C)(C)C(=O)Oc1cc(Cl)ccc1Cl

Molecular Weight¹

319.18

• 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°	35.00	kJ/mol	Joback Calculated Property
ΔvapH°	84.58	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	3.878		Crippen Calculated Property
McVol	223.720	ml/mol	McGowan Calculated Property
Inp	[1953.00; 1953.00]
Inp	1953.00		NIST
Inp	1953.00		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	[308.34; 651.22]	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			3.69820e+01
Coefficient B			1.16576e+00
Coefficient C			-6.58320e-04
Coefficient D			1.06800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	308.34	J/mol×K	273.00	Calculated Property
Cp,gas	371.74	J/mol×K	353.78	Calculated Property
Cp,gas	428.02	J/mol×K	434.56	Calculated Property
Cp,gas	477.52	J/mol×K	515.33	Calculated Property
Cp,gas	520.59	J/mol×K	596.11	Calculated Property
Cp,gas	557.57	J/mol×K	676.89	Calculated Property
Cp,gas	588.78	J/mol×K	757.67	Calculated Property
Cp,gas	614.56	J/mol×K	838.44	Calculated Property
Cp,gas	635.27	J/mol×K	919.22	Calculated Property
Cp,gas	651.22	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008579; 0.0000928]	Pa×s	[445.92; 674.93]	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			-1.36142e+01
Coefficient B			2.92220e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			445.92
Temperature range, max.			674.93
η	0.0008579	Pa×s	445.92	Calculated Property
η	0.0006023	Pa×s	471.37	Calculated Property
η	0.0004384	Pa×s	496.81	Calculated Property
η	0.0003292	Pa×s	522.26	Calculated Property
η	0.0002538	Pa×s	547.70	Calculated Property
η	0.0002003	Pa×s	573.15	Calculated Property
η	0.0001613	Pa×s	598.60	Calculated Property
η	0.0001322	Pa×s	624.04	Calculated Property
η	0.0001100	Pa×s	649.49	Calculated Property
η	0.0000928	Pa×s	674.93	Calculated Property

Similar Compounds

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

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