Chemical Properties of Diglycolic acid, butyl 2,5-dimethylphenyl ester

InChI

InChI=1S/C16H22O5/c1-4-5-8-20-15(17)10-19-11-16(18)21-14-9-12(2)6-7-13(14)3/h6-7,9H,4-5,8,10-11H2,1-3H3

InChI Key

QJJKCMWCTOAZJW-UHFFFAOYSA-N

Formula

C16H22O5

SMILES

CCCCOC(=O)COCC(=O)Oc1cc(C)ccc1C

Molecular Weight¹

294.34

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	40.38	kJ/mol	Joback Calculated Property
logPoct/wat	2.569		Crippen Calculated Property
McVol	233.290	ml/mol	McGowan Calculated Property
Inp	[2579.00; 2579.00]
Inp	2579.00		NIST
Inp	2579.00		NIST
Tfus	287.67	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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	[340.83; 754.89]	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			5.93550e+01
Coefficient B			1.15316e+00
Coefficient C			-4.43520e-04
Coefficient D			-1.41000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	340.83	J/mol×K	273.00	Calculated Property
Cp,gas	411.18	J/mol×K	353.78	Calculated Property
Cp,gas	475.56	J/mol×K	434.56	Calculated Property
Cp,gas	533.90	J/mol×K	515.33	Calculated Property
Cp,gas	586.18	J/mol×K	596.11	Calculated Property
Cp,gas	632.33	J/mol×K	676.89	Calculated Property
Cp,gas	672.33	J/mol×K	757.67	Calculated Property
Cp,gas	706.12	J/mol×K	838.44	Calculated Property
Cp,gas	733.65	J/mol×K	919.22	Calculated Property
Cp,gas	754.89	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007669; 0.0000891]	Pa×s	[428.43; 657.15]	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			-1.33572e+01
Coefficient B			2.64943e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			428.43
Temperature range, max.			657.15
η	0.0007669	Pa×s	428.43	Calculated Property
η	0.0005424	Pa×s	453.84	Calculated Property
η	0.0003980	Pa×s	479.26	Calculated Property
η	0.0003013	Pa×s	504.67	Calculated Property
η	0.0002343	Pa×s	530.08	Calculated Property
η	0.0001864	Pa×s	555.49	Calculated Property
η	0.0001513	Pa×s	580.91	Calculated Property
η	0.0001250	Pa×s	606.32	Calculated Property
η	0.0001048	Pa×s	631.73	Calculated Property
η	0.0000891	Pa×s	657.15	Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, butyl 2,5-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

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