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

InChI

InChI=1S/C14H18O5/c1-4-18-13(15)8-17-9-14(16)19-12-7-10(2)5-6-11(12)3/h5-7H,4,8-9H2,1-3H3

InChI Key

QWSITZGPORANLE-UHFFFAOYSA-N

Formula

C14H18O5

SMILES

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

Molecular Weight¹

266.29

• 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_c : Critical Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	35.20	kJ/mol	Joback Calculated Property
logPoct/wat	1.789		Crippen Calculated Property
McVol	205.110	ml/mol	McGowan Calculated Property
Inp	[2344.00; 2344.00]
Inp	2344.00		NIST
Inp	2344.00		NIST
Tboil	605.37	K	Relay (1.0) Calculated Property
Tc	800.65	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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	[298.40; 651.71]	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			6.11730e+01
Coefficient B			9.63160e-01
Coefficient C			-3.34720e-04
Coefficient D			-3.79000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	298.40	J/mol×K	273.00	Calculated Property
Cp,gas	358.35	J/mol×K	353.78	Calculated Property
Cp,gas	413.40	J/mol×K	434.56	Calculated Property
Cp,gas	463.44	J/mol×K	515.33	Calculated Property
Cp,gas	508.35	J/mol×K	596.11	Calculated Property
Cp,gas	548.01	J/mol×K	676.89	Calculated Property
Cp,gas	582.29	J/mol×K	757.67	Calculated Property
Cp,gas	611.09	J/mol×K	838.44	Calculated Property
Cp,gas	634.27	J/mol×K	919.22	Calculated Property
Cp,gas	651.71	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009156; 0.0001075]	Pa×s	[405.89; 627.64]	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			-1.30594e+01
Coefficient B			2.46111e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			405.89
Temperature range, max.			627.64
η	0.0009156	Pa×s	405.89	Calculated Property
η	0.0006472	Pa×s	430.53	Calculated Property
η	0.0004749	Pa×s	455.17	Calculated Property
η	0.0003598	Pa×s	479.81	Calculated Property
η	0.0002800	Pa×s	504.44	Calculated Property
η	0.0002231	Pa×s	529.08	Calculated Property
η	0.0001814	Pa×s	553.72	Calculated Property
η	0.0001501	Pa×s	578.36	Calculated Property
η	0.0001262	Pa×s	603.00	Calculated Property
η	0.0001075	Pa×s	627.64	Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, 2,5-dimethylphenyl ethyl 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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