Chemical Properties of Glutaric acid, di(3,4-dimethylphenyl) ester

InChI

InChI=1S/C21H24O4/c1-14-8-10-18(12-16(14)3)24-20(22)6-5-7-21(23)25-19-11-9-15(2)17(4)13-19/h8-13H,5-7H2,1-4H3

InChI Key

SQMUBERKHRGVAS-UHFFFAOYSA-N

Formula

C21H24O4

SMILES

Cc1ccc(OC(=O)CCCC(=O)Oc2ccc(C)c(C)c2)cc1C

Molecular Weight¹

340.41

• 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°	45.41	kJ/mol	Joback Calculated Property
logPoct/wat	4.602		Crippen Calculated Property
McVol	274.110	ml/mol	McGowan Calculated Property
Inp	[2875.00; 2875.00]
Inp	2875.00		NIST
Inp	2875.00		NIST
Tboil	664.19	K	Relay (1.0) Calculated Property
Tfus	372.27	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	[379.34; 869.74]	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			2.40030e+01
Coefficient B			1.49348e+00
Coefficient C			-7.23640e-04
Coefficient D			7.59000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	379.34	J/mol×K	273.00	Calculated Property
Cp,gas	465.15	J/mol×K	353.78	Calculated Property
Cp,gas	542.58	J/mol×K	434.56	Calculated Property
Cp,gas	611.85	J/mol×K	515.33	Calculated Property
Cp,gas	673.22	J/mol×K	596.11	Calculated Property
Cp,gas	726.91	J/mol×K	676.89	Calculated Property
Cp,gas	773.16	J/mol×K	757.67	Calculated Property
Cp,gas	812.23	J/mol×K	838.44	Calculated Property
Cp,gas	844.34	J/mol×K	919.22	Calculated Property
Cp,gas	869.74	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0004023; 0.0000626]	Pa×s	[514.01; 763.26]	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			-1.35168e+01
Coefficient B			2.92904e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			514.01
Temperature range, max.			763.26
η	0.0004023	Pa×s	514.01	Calculated Property
η	0.0003006	Pa×s	541.70	Calculated Property
η	0.0002311	Pa×s	569.40	Calculated Property
η	0.0001820	Pa×s	597.09	Calculated Property
η	0.0001465	Pa×s	624.79	Calculated Property
η	0.0001200	Pa×s	652.48	Calculated Property
η	0.0001000	Pa×s	680.18	Calculated Property
η	0.0000845	Pa×s	707.87	Calculated Property
η	0.0000723	Pa×s	735.57	Calculated Property
η	0.0000626	Pa×s	763.26	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, di(3,4-dimethylphenyl) 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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