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

InChI

InChI=1S/C16H20Cl2O4/c1-4-5-6-9-21-14(19)16(2,3)15(20)22-13-10-11(17)7-8-12(13)18/h7-8,10H,4-6,9H2,1-3H3

InChI Key

RUJZONXDTOMDNX-UHFFFAOYSA-N

Formula

C16H20Cl2O4

SMILES

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

Molecular Weight¹

347.23

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	40.18	kJ/mol	Joback Calculated Property
logPoct/wat	4.658		Crippen Calculated Property
McVol	251.900	ml/mol	McGowan Calculated Property
Inp	[2125.00; 2125.00]
Inp	2125.00		NIST
Inp	2125.00		NIST
Tboil	595.19	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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, 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	[350.77; 754.40]	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			3.51640e+01
Coefficient B			1.35576e+00
Coefficient C			-7.67120e-04
Coefficient D			1.30600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	350.77	J/mol×K	273.00	Calculated Property
Cp,gas	424.57	J/mol×K	353.78	Calculated Property
Cp,gas	490.17	J/mol×K	434.56	Calculated Property
Cp,gas	547.98	J/mol×K	515.33	Calculated Property
Cp,gas	598.42	J/mol×K	596.11	Calculated Property
Cp,gas	641.89	J/mol×K	676.89	Calculated Property
Cp,gas	678.81	J/mol×K	757.67	Calculated Property
Cp,gas	709.59	J/mol×K	838.44	Calculated Property
Cp,gas	734.65	J/mol×K	919.22	Calculated Property
Cp,gas	754.40	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006836; 0.0000745]	Pa×s	[468.46; 703.19]	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			-1.39280e+01
Coefficient B			3.11052e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			468.46
Temperature range, max.			703.19
η	0.0006836	Pa×s	468.46	Calculated Property
η	0.0004817	Pa×s	494.54	Calculated Property
η	0.0003515	Pa×s	520.62	Calculated Property
η	0.0002643	Pa×s	546.70	Calculated Property
η	0.0002040	Pa×s	572.78	Calculated Property
η	0.0001610	Pa×s	598.86	Calculated Property
η	0.0001296	Pa×s	624.94	Calculated Property
η	0.0001062	Pa×s	651.03	Calculated Property
η	0.0000884	Pa×s	677.11	Calculated Property
η	0.0000745	Pa×s	703.19	Calculated Property

Similar Compounds

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