Chemical Properties of Dimethylmalonic acid, monochloride, 2-isopropoxyphenyl ester

InChI

InChI=1S/C14H17ClO4/c1-9(2)18-10-7-5-6-8-11(10)19-13(17)14(3,4)12(15)16/h5-9H,1-4H3

InChI Key

WNTRJSMFKXIQBL-UHFFFAOYSA-N

Formula

C14H17ClO4

SMILES

CC(C)Oc1ccccc1OC(=O)C(C)(C)C(=O)Cl

Molecular Weight¹

284.74

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	26.08	kJ/mol	Joback Calculated Property
log10WS	-3.66		Relay (1.0) Calculated Property
logPoct/wat	3.171		Crippen Calculated Property
McVol	211.480	ml/mol	McGowan Calculated Property
Inp	[1611.00; 1611.00]
Inp	1611.00		NIST
Inp	1611.00		NIST
Tfus	320.16	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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 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	[292.07; 645.94]	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			1.55600e+01
Coefficient B			1.18798e+00
Coefficient C			-6.73060e-04
Coefficient D			1.15460e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	292.07	J/mol×K	273.00	Calculated Property
Cp,gas	356.71	J/mol×K	353.78	Calculated Property
Cp,gas	414.18	J/mol×K	434.56	Calculated Property
Cp,gas	464.82	J/mol×K	515.33	Calculated Property
Cp,gas	509.01	J/mol×K	596.11	Calculated Property
Cp,gas	547.12	J/mol×K	676.89	Calculated Property
Cp,gas	579.50	J/mol×K	757.67	Calculated Property
Cp,gas	606.52	J/mol×K	838.44	Calculated Property
Cp,gas	628.54	J/mol×K	919.22	Calculated Property
Cp,gas	645.94	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012376; 0.0001057]	Pa×s	[418.31; 658.92]	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			-1.34324e+01
Coefficient B			2.81852e+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.			418.31
Temperature range, max.			658.92
η	0.0012376	Pa×s	418.31	Calculated Property
η	0.0008257	Pa×s	445.04	Calculated Property
η	0.0005767	Pa×s	471.78	Calculated Property
η	0.0004186	Pa×s	498.51	Calculated Property
η	0.0003139	Pa×s	525.25	Calculated Property
η	0.0002421	Pa×s	551.98	Calculated Property
η	0.0001912	Pa×s	578.72	Calculated Property
η	0.0001542	Pa×s	605.45	Calculated Property
η	0.0001267	Pa×s	632.18	Calculated Property
η	0.0001057	Pa×s	658.92	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, monochloride, 2-isopropoxyphenyl 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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