Chemical Properties of Pimelic acid, isobutyl phenethyl ester

InChI

InChI=1S/C19H28O4/c1-16(2)15-23-19(21)12-8-4-7-11-18(20)22-14-13-17-9-5-3-6-10-17/h3,5-6,9-10,16H,4,7-8,11-15H2,1-2H3

InChI Key

LCVGRBJWJYIPJW-UHFFFAOYSA-N

Formula

C19H28O4

SMILES

CC(C)COC(=O)CCCCCC(=O)OCCc1ccccc1

Molecular Weight¹

320.43

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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	[383.65; 897.79]	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			8.48000e-01
Coefficient B			1.62624e+00
Coefficient C			-8.55000e-04
Coefficient D			1.25700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	383.65	J/mol×K	273.00	Calculated Property
Cp,gas	474.73	J/mol×K	353.78	Calculated Property
Cp,gas	556.40	J/mol×K	434.56	Calculated Property
Cp,gas	629.05	J/mol×K	515.33	Calculated Property
Cp,gas	693.07	J/mol×K	596.11	Calculated Property
Cp,gas	748.87	J/mol×K	676.89	Calculated Property
Cp,gas	796.85	J/mol×K	757.67	Calculated Property
Cp,gas	837.39	J/mol×K	838.44	Calculated Property
Cp,gas	870.91	J/mol×K	919.22	Calculated Property
Cp,gas	897.79	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016134; 0.0000768]	Pa×s	[399.97; 681.13]	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			-1.38053e+01
Coefficient B			2.95016e+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.			399.97
Temperature range, max.			681.13
η	0.0016134	Pa×s	399.97	Calculated Property
η	0.0009455	Pa×s	431.21	Calculated Property
η	0.0005956	Pa×s	462.45	Calculated Property
η	0.0003978	Pa×s	493.69	Calculated Property
η	0.0002787	Pa×s	524.93	Calculated Property
η	0.0002033	Pa×s	556.17	Calculated Property
η	0.0001533	Pa×s	587.41	Calculated Property
η	0.0001190	Pa×s	618.65	Calculated Property
η	0.0000946	Pa×s	649.89	Calculated Property
η	0.0000768	Pa×s	681.13	Calculated Property

Similar Compounds

Find more compounds similar to Pimelic acid, isobutyl phenethyl 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.