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

InChI

InChI=1S/C13H15ClO3/c1-4-9-7-5-6-8-10(9)17-12(16)13(2,3)11(14)15/h5-8H,4H2,1-3H3

InChI Key

ULZVSXQZZSBOJD-UHFFFAOYSA-N

Formula

C13H15ClO3

SMILES

CCc1ccccc1OC(=O)C(C)(C)C(=O)Cl

Molecular Weight¹

254.71

• 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°	25.83	kJ/mol	Joback Calculated Property
logPoct/wat	2.946		Crippen Calculated Property
McVol	191.520	ml/mol	McGowan Calculated Property
Inp	[1683.00; 1683.00]
Inp	1683.00		NIST
Inp	1683.00		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	[255.76; 575.31]	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			-7.34900e+00
Coefficient B			1.15026e+00
Coefficient C			-7.26460e-04
Coefficient D			1.58860e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	255.76	J/mol×K	273.00	Calculated Property
Cp,gas	315.70	J/mol×K	353.78	Calculated Property
Cp,gas	368.36	J/mol×K	434.56	Calculated Property
Cp,gas	414.23	J/mol×K	515.33	Calculated Property
Cp,gas	453.84	J/mol×K	596.11	Calculated Property
Cp,gas	487.67	J/mol×K	676.89	Calculated Property
Cp,gas	516.23	J/mol×K	757.67	Calculated Property
Cp,gas	540.02	J/mol×K	838.44	Calculated Property
Cp,gas	559.55	J/mol×K	919.22	Calculated Property
Cp,gas	575.31	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016439; 0.0001586]	Pa×s	[399.81; 629.18]	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			-1.28249e+01
Coefficient B			2.56445e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			399.81
Temperature range, max.			629.18
η	0.0016439	Pa×s	399.81	Calculated Property
η	0.0011193	Pa×s	425.30	Calculated Property
η	0.0007960	Pa×s	450.78	Calculated Property
η	0.0005871	Pa×s	476.27	Calculated Property
η	0.0004466	Pa×s	501.75	Calculated Property
η	0.0003488	Pa×s	527.24	Calculated Property
η	0.0002787	Pa×s	552.73	Calculated Property
η	0.0002272	Pa×s	578.21	Calculated Property
η	0.0001884	Pa×s	603.70	Calculated Property
η	0.0001586	Pa×s	629.18	Calculated Property

Similar Compounds

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