Chemical Properties of Dimethylmalonic acid, 2,4-dichloro-6-formylphenyl isohexyl ester

InChI

InChI=1S/C18H22Cl2O5/c1-11(2)6-5-7-24-16(22)18(3,4)17(23)25-15-12(10-21)8-13(19)9-14(15)20/h8-11H,5-7H2,1-4H3

InChI Key

YMQHVEFOVRHIHC-UHFFFAOYSA-N

Formula

C18H22Cl2O5

SMILES

CC(C)CCCOC(=O)C(C)(C)C(=O)Oc1c(Cl)cc(Cl)cc1C=O

Molecular Weight¹

389.27

• 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°	43.73	kJ/mol	Joback Calculated Property
logPoct/wat	4.717		Crippen Calculated Property
McVol	281.650	ml/mol	McGowan Calculated Property
Inp	[2391.00; 2391.00]
Inp	2391.00		NIST
Inp	2391.00		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	[400.35; 845.86]	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			5.73630e+01
Coefficient B			1.46668e+00
Coefficient C			-8.05080e-04
Coefficient D			1.26900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	400.35	J/mol×K	273.00	Calculated Property
Cp,gas	481.10	J/mol×K	353.78	Calculated Property
Cp,gas	553.10	J/mol×K	434.56	Calculated Property
Cp,gas	616.76	J/mol×K	515.33	Calculated Property
Cp,gas	672.46	J/mol×K	596.11	Calculated Property
Cp,gas	720.63	J/mol×K	676.89	Calculated Property
Cp,gas	761.65	J/mol×K	757.67	Calculated Property
Cp,gas	795.93	J/mol×K	838.44	Calculated Property
Cp,gas	823.86	J/mol×K	919.22	Calculated Property
Cp,gas	845.86	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004575; 0.0000577]	Pa×s	[530.52; 775.30]	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			-1.42457e+01
Coefficient B			3.47803e+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.			530.52
Temperature range, max.			775.30
η	0.0004575	Pa×s	530.52	Calculated Property
η	0.0003323	Pa×s	557.72	Calculated Property
η	0.0002486	Pa×s	584.91	Calculated Property
η	0.0001909	Pa×s	612.11	Calculated Property
η	0.0001499	Pa×s	639.31	Calculated Property
η	0.0001201	Pa×s	666.51	Calculated Property
η	0.0000979	Pa×s	693.70	Calculated Property
η	0.0000810	Pa×s	720.90	Calculated Property
η	0.0000680	Pa×s	748.10	Calculated Property
η	0.0000577	Pa×s	775.30	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, 2,4-dichloro-6-formylphenyl isohexyl 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.