Chemical Properties of Glutaric acid, 4-acetylphenyl heptyl ester

InChI

InChI=1S/C20H28O5/c1-3-4-5-6-7-15-24-19(22)9-8-10-20(23)25-18-13-11-17(12-14-18)16(2)21/h11-14H,3-10,15H2,1-2H3

InChI Key

RVOBDRAPYSANRW-UHFFFAOYSA-N

Formula

C20H28O5

SMILES

CCCCCCCOC(=O)CCCC(=O)Oc1ccc(C(C)=O)cc1

Molecular Weight¹

348.44

• ω : Acentric Factor.
• 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_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation, 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	[408.65; 934.82]	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			2.32790e+01
Coefficient B			1.62784e+00
Coefficient C			-8.20460e-04
Coefficient D			1.04160e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	408.65	J/mol×K	273.00	Calculated Property
Cp,gas	501.10	J/mol×K	353.78	Calculated Property
Cp,gas	584.28	J/mol×K	434.56	Calculated Property
Cp,gas	658.53	J/mol×K	515.33	Calculated Property
Cp,gas	724.17	J/mol×K	596.11	Calculated Property
Cp,gas	781.53	J/mol×K	676.89	Calculated Property
Cp,gas	830.95	J/mol×K	757.67	Calculated Property
Cp,gas	872.75	J/mol×K	838.44	Calculated Property
Cp,gas	907.26	J/mol×K	919.22	Calculated Property
Cp,gas	934.82	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006806; 0.0000721]	Pa×s	[488.69; 743.45]	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			-1.38435e+01
Coefficient B			3.20143e+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.			488.69
Temperature range, max.			743.45
η	0.0006806	Pa×s	488.69	Calculated Property
η	0.0004755	Pa×s	517.00	Calculated Property
η	0.0003448	Pa×s	545.30	Calculated Property
η	0.0002581	Pa×s	573.61	Calculated Property
η	0.0001985	Pa×s	601.92	Calculated Property
η	0.0001563	Pa×s	630.22	Calculated Property
η	0.0001256	Pa×s	658.53	Calculated Property
η	0.0001028	Pa×s	686.84	Calculated Property
η	0.0000855	Pa×s	715.14	Calculated Property
η	0.0000721	Pa×s	743.45	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 4-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.
These property values are available through the Cheméo API. A free account gives you an access key.