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

InChI

InChI=1S/C17H22O5/c1-12(2)13(3)21-16(19)9-6-10-17(20)22-15-8-5-4-7-14(15)11-18/h4-5,7-8,11-13H,6,9-10H2,1-3H3

InChI Key

KSECMGOHBVOBLT-UHFFFAOYSA-N

Formula

C17H22O5

SMILES

CC(C)C(C)OC(=O)CCCC(=O)Oc1ccccc1C=O

Molecular Weight¹

306.35

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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

Property	Value	Unit	Source
ΔfusH°	37.42	kJ/mol	Joback Calculated Property
logPoct/wat	3.163		Crippen Calculated Property
McVol	243.080	ml/mol	McGowan Calculated Property
Inp	[2254.00; 2254.00]
Inp	2254.00		NIST
Inp	2254.00		NIST
Tboil	618.73	K	Relay (1.0) Calculated Property
Tfus	302.13	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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, Ionization energy, 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	[348.37; 782.88]	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			2.66830e+01
Coefficient B			1.35716e+00
Coefficient C			-6.75360e-04
Coefficient D			7.44000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	348.37	J/mol×K	273.00	Calculated Property
Cp,gas	425.58	J/mol×K	353.78	Calculated Property
Cp,gas	495.02	J/mol×K	434.56	Calculated Property
Cp,gas	556.90	J/mol×K	515.33	Calculated Property
Cp,gas	611.47	J/mol×K	596.11	Calculated Property
Cp,gas	658.97	J/mol×K	676.89	Calculated Property
Cp,gas	699.62	J/mol×K	757.67	Calculated Property
Cp,gas	733.67	J/mol×K	838.44	Calculated Property
Cp,gas	761.34	J/mol×K	919.22	Calculated Property
Cp,gas	782.88	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016083; 0.0000970]	Pa×s	[416.95; 692.69]	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			-1.34862e+01
Coefficient B			2.94103e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			416.95
Temperature range, max.			692.69
η	0.0016083	Pa×s	416.95	Calculated Property
η	0.0009924	Pa×s	447.59	Calculated Property
η	0.0006514	Pa×s	478.23	Calculated Property
η	0.0004498	Pa×s	508.86	Calculated Property
η	0.0003240	Pa×s	539.50	Calculated Property
η	0.0002417	Pa×s	570.14	Calculated Property
η	0.0001858	Pa×s	600.78	Calculated Property
η	0.0001465	Pa×s	631.41	Calculated Property
η	0.0001181	Pa×s	662.05	Calculated Property
η	0.0000970	Pa×s	692.69	Calculated Property

Similar Compounds

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

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.
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