Chemical Properties of Diethylmalonic acid, 2-chloro-5-methylphenyl octyl ester

InChI

InChI=1S/C22H33ClO4/c1-5-8-9-10-11-12-15-26-20(24)22(6-2,7-3)21(25)27-19-16-17(4)13-14-18(19)23/h13-14,16H,5-12,15H2,1-4H3

InChI Key

UQWLVXXPANUXOT-UHFFFAOYSA-N

Formula

C22H33ClO4

SMILES

CCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1cc(C)ccc1Cl

Molecular Weight¹

396.95

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	51.52	kJ/mol	Joback Calculated Property
logPoct/wat	6.264		Crippen Calculated Property
McVol	324.200	ml/mol	McGowan Calculated Property
Inp	[2527.00; 2527.00]
Inp	2527.00		NIST
Inp	2527.00		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, 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	[464.65; 1055.68]	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			1.68190e+01
Coefficient B			1.91898e+00
Coefficient C			-1.07312e-03
Coefficient D			1.93000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	464.65	J/mol×K	273.00	Calculated Property
Cp,gas	569.95	J/mol×K	353.78	Calculated Property
Cp,gas	663.91	J/mol×K	434.56	Calculated Property
Cp,gas	747.16	J/mol×K	515.33	Calculated Property
Cp,gas	820.30	J/mol×K	596.11	Calculated Property
Cp,gas	883.93	J/mol×K	676.89	Calculated Property
Cp,gas	938.68	J/mol×K	757.67	Calculated Property
Cp,gas	985.14	J/mol×K	838.44	Calculated Property
Cp,gas	1023.94	J/mol×K	919.22	Calculated Property
Cp,gas	1055.68	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004217; 0.0000398]	Pa×s	[506.16; 768.24]	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			-1.46942e+01
Coefficient B			3.50416e+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.			506.16
Temperature range, max.			768.24
η	0.0004217	Pa×s	506.16	Calculated Property
η	0.0002894	Pa×s	535.28	Calculated Property
η	0.0002064	Pa×s	564.40	Calculated Property
η	0.0001522	Pa×s	593.52	Calculated Property
η	0.0001155	Pa×s	622.64	Calculated Property
η	0.0000898	Pa×s	651.76	Calculated Property
η	0.0000714	Pa×s	680.88	Calculated Property
η	0.0000578	Pa×s	710.00	Calculated Property
η	0.0000476	Pa×s	739.12	Calculated Property
η	0.0000398	Pa×s	768.24	Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2-chloro-5-methylphenyl octyl 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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