Chemical Properties of Glutaric acid, isobutyl 1-phenylethyl ester

InChI

InChI=1S/C17H24O4/c1-13(2)12-20-16(18)10-7-11-17(19)21-14(3)15-8-5-4-6-9-15/h4-6,8-9,13-14H,7,10-12H2,1-3H3

InChI Key

NDEOYJPFXVAZSK-UHFFFAOYSA-N

Formula

C17H24O4

SMILES

CC(C)COC(=O)CCCC(=O)OC(C)c1ccccc1

Molecular Weight¹

292.37

• 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).
• 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, 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	[340.90; 795.14]	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			9.84000e-01
Coefficient B			1.44216e+00
Coefficient C			-7.49400e-04
Coefficient D			1.01400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	340.90	J/mol×K	273.00	Calculated Property
Cp,gas	421.88	J/mol×K	353.78	Calculated Property
Cp,gas	494.49	J/mol×K	434.56	Calculated Property
Cp,gas	559.04	J/mol×K	515.33	Calculated Property
Cp,gas	615.85	J/mol×K	596.11	Calculated Property
Cp,gas	665.25	J/mol×K	676.89	Calculated Property
Cp,gas	707.56	J/mol×K	757.67	Calculated Property
Cp,gas	743.10	J/mol×K	838.44	Calculated Property
Cp,gas	772.19	J/mol×K	919.22	Calculated Property
Cp,gas	795.14	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0027169; 0.0000878]	Pa×s	[362.43; 652.25]	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			-1.36330e+01
Coefficient B			2.79966e+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.			362.43
Temperature range, max.			652.25
η	0.0027169	Pa×s	362.43	Calculated Property
η	0.0014465	Pa×s	394.63	Calculated Property
η	0.0008470	Pa×s	426.83	Calculated Property
η	0.0005346	Pa×s	459.04	Calculated Property
η	0.0003584	Pa×s	491.24	Calculated Property
η	0.0002524	Pa×s	523.44	Calculated Property
η	0.0001851	Pa×s	555.64	Calculated Property
η	0.0001405	Pa×s	587.85	Calculated Property
η	0.0001097	Pa×s	620.05	Calculated Property
η	0.0000878	Pa×s	652.25	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, isobutyl 1-phenylethyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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