Chemical Properties of Glutaric acid, 3-methylbut-2-yl diphenylmethyl ester

InChI

InChI=1S/C23H28O4/c1-17(2)18(3)26-21(24)15-10-16-22(25)27-23(19-11-6-4-7-12-19)20-13-8-5-9-14-20/h4-9,11-14,17-18,23H,10,15-16H2,1-3H3

InChI Key

ASVPDTLBQOYMPI-UHFFFAOYSA-N

Formula

C23H28O4

SMILES

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

Molecular Weight¹

368.47

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	41.58	kJ/mol	Joback Calculated Property
IE	8.79	eV	Relay (1.0) Calculated Property
logPoct/wat	5.077		Crippen Calculated Property
McVol	302.290	ml/mol	McGowan Calculated Property
Inp	[2605.00; 2605.00]
Inp	2605.00		NIST
Inp	2605.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[410.62; 986.70]	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			-4.00570e+01
Coefficient B			1.93916e+00
Coefficient C			-1.11020e-03
Coefficient D			1.97800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	410.62	J/mol×K	273.00	Calculated Property
Cp,gas	515.78	J/mol×K	353.78	Calculated Property
Cp,gas	609.20	J/mol×K	434.56	Calculated Property
Cp,gas	691.49	J/mol×K	515.33	Calculated Property
Cp,gas	763.29	J/mol×K	596.11	Calculated Property
Cp,gas	825.21	J/mol×K	676.89	Calculated Property
Cp,gas	877.89	J/mol×K	757.67	Calculated Property
Cp,gas	921.95	J/mol×K	838.44	Calculated Property
Cp,gas	958.01	J/mol×K	919.22	Calculated Property
Cp,gas	986.70	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010799; 0.0000364]	Pa×s	[441.47; 781.99]	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			-1.46136e+01
Coefficient B			3.43586e+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.			441.47
Temperature range, max.			781.99
η	0.0010799	Pa×s	441.47	Calculated Property
η	0.0005842	Pa×s	479.31	Calculated Property
η	0.0003458	Pa×s	517.14	Calculated Property
η	0.0002198	Pa×s	554.98	Calculated Property
η	0.0001481	Pa×s	592.81	Calculated Property
η	0.0001046	Pa×s	630.65	Calculated Property
η	0.0000768	Pa×s	668.48	Calculated Property
η	0.0000583	Pa×s	706.32	Calculated Property
η	0.0000456	Pa×s	744.16	Calculated Property
η	0.0000364	Pa×s	781.99	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-methylbut-2-yl diphenylmethyl 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

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