Chemical Properties of Diglycolic acid, 2-acetylphenyl heptyl ester

InChI

InChI=1S/C19H26O6/c1-3-4-5-6-9-12-24-18(21)13-23-14-19(22)25-17-11-8-7-10-16(17)15(2)20/h7-8,10-11H,3-6,9,12-14H2,1-2H3

InChI Key

GTFYSMDDWGPWNS-UHFFFAOYSA-N

Formula

C19H26O6

SMILES

CCCCCCCOC(=O)COCC(=O)Oc1ccccc1C(C)=O

Molecular Weight¹

350.41

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• 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 Volume, 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	[402.84; 901.73]	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			4.96880e+01
Coefficient B			1.46964e+00
Coefficient C			-6.55060e-04
Coefficient D			3.74600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	402.84	J/mol×K	273.00	Calculated Property
Cp,gas	489.29	J/mol×K	353.78	Calculated Property
Cp,gas	567.70	J/mol×K	434.56	Calculated Property
Cp,gas	638.21	J/mol×K	515.33	Calculated Property
Cp,gas	700.92	J/mol×K	596.11	Calculated Property
Cp,gas	755.95	J/mol×K	676.89	Calculated Property
Cp,gas	803.44	J/mol×K	757.67	Calculated Property
Cp,gas	843.48	J/mol×K	838.44	Calculated Property
Cp,gas	876.20	J/mol×K	919.22	Calculated Property
Cp,gas	901.73	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005200; 0.0000625]	Pa×s	[499.65; 743.40]	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			-1.40249e+01
Coefficient B			3.22936e+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.			499.65
Temperature range, max.			743.40
η	0.0005200	Pa×s	499.65	Calculated Property
η	0.0003730	Pa×s	526.73	Calculated Property
η	0.0002764	Pa×s	553.82	Calculated Property
η	0.0002106	Pa×s	580.90	Calculated Property
η	0.0001644	Pa×s	607.98	Calculated Property
η	0.0001311	Pa×s	635.07	Calculated Property
η	0.0001065	Pa×s	662.15	Calculated Property
η	0.0000879	Pa×s	689.23	Calculated Property
η	0.0000736	Pa×s	716.32	Calculated Property
η	0.0000625	Pa×s	743.40	Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, 2-acetylphenyl heptyl ester.

Sources

• Cheméo Relay (1.0)
• 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.