Chemical Properties of Dimethylmalonic acid, diphenyl ester (CAS 26595-27-7)

InChI

InChI=1S/C17H16O4/c1-17(2,15(18)20-13-9-5-3-6-10-13)16(19)21-14-11-7-4-8-12-14/h3-12H,1-2H3

InChI Key

HWZVGGMEXHEECA-UHFFFAOYSA-N

Formula

C17H16O4

SMILES

CC(C)(C(=O)Oc1ccccc1)C(=O)Oc1ccccc1

Molecular Weight¹

284.31

CAS

26595-27-7

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[282.82; 677.01]	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			-5.40300e+01
Coefficient B			1.47724e+00
Coefficient C			-9.46000e-04
Coefficient D			1.99800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	282.82	J/mol×K	273.00	Calculated Property
Cp,gas	359.03	J/mol×K	353.78	Calculated Property
Cp,gas	425.67	J/mol×K	434.56	Calculated Property
Cp,gas	483.36	J/mol×K	515.33	Calculated Property
Cp,gas	532.73	J/mol×K	596.11	Calculated Property
Cp,gas	574.43	J/mol×K	676.89	Calculated Property
Cp,gas	609.07	J/mol×K	757.67	Calculated Property
Cp,gas	637.29	J/mol×K	838.44	Calculated Property
Cp,gas	659.73	J/mol×K	919.22	Calculated Property
Cp,gas	677.01	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012378; 0.0000743]	Pa×s	[421.27; 696.59]	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			-1.38109e+01
Coefficient B			2.99798e+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.			421.27
Temperature range, max.			696.59
η	0.0012378	Pa×s	421.27	Calculated Property
η	0.0007646	Pa×s	451.86	Calculated Property
η	0.0005020	Pa×s	482.45	Calculated Property
η	0.0003466	Pa×s	513.04	Calculated Property
η	0.0002494	Pa×s	543.64	Calculated Property
η	0.0001859	Pa×s	574.23	Calculated Property
η	0.0001428	Pa×s	604.82	Calculated Property
η	0.0001125	Pa×s	635.41	Calculated Property
η	0.0000906	Pa×s	666.00	Calculated Property
η	0.0000743	Pa×s	696.59	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, diphenyl 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.