Chemical Properties of Diglycolic acid, 2-methoxyphenyl propyl ester

InChI

InChI=1S/C14H18O6/c1-3-8-19-13(15)9-18-10-14(16)20-12-7-5-4-6-11(12)17-2/h4-7H,3,8-10H2,1-2H3

InChI Key

AYSQXAPEPBNHMH-UHFFFAOYSA-N

Formula

C14H18O6

SMILES

CCCOC(=O)COCC(=O)Oc1ccccc1OC

Molecular Weight¹

282.29

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• 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°	36.78	kJ/mol	Joback Calculated Property
log10WS	-2.20		Relay (1.0) Calculated Property
logPoct/wat	1.570		Crippen Calculated Property
McVol	210.980	ml/mol	McGowan Calculated Property
Pc	1940.65	kPa	Joback Calculated Property
Inp	[2532.00; 2532.00]
Inp	2532.00		NIST
Inp	2532.00		NIST
Tboil	616.71	K	Relay (1.0) Calculated Property
Tfus	306.63	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[311.25; 673.25]	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			7.23740e+01
Coefficient B			9.59440e-01
Coefficient C			-2.90760e-04
Coefficient D			-6.78000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	311.25	J/mol×K	273.00	Calculated Property
Cp,gas	372.41	J/mol×K	353.78	Calculated Property
Cp,gas	428.83	J/mol×K	434.56	Calculated Property
Cp,gas	480.31	J/mol×K	515.33	Calculated Property
Cp,gas	526.62	J/mol×K	596.11	Calculated Property
Cp,gas	567.56	J/mol×K	676.89	Calculated Property
Cp,gas	602.91	J/mol×K	757.67	Calculated Property
Cp,gas	632.45	J/mol×K	838.44	Calculated Property
Cp,gas	655.97	J/mol×K	919.22	Calculated Property
Cp,gas	673.25	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0007911; 0.0000866]	Pa×s	[415.60; 638.40]	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			-1.34811e+01
Coefficient B			2.63446e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			415.60
Temperature range, max.			638.40
η	0.0007911	Pa×s	415.60	Calculated Property
η	0.0005539	Pa×s	440.36	Calculated Property
η	0.0004029	Pa×s	465.11	Calculated Property
η	0.0003026	Pa×s	489.87	Calculated Property
η	0.0002336	Pa×s	514.62	Calculated Property
η	0.0001847	Pa×s	539.38	Calculated Property
η	0.0001491	Pa×s	564.13	Calculated Property
η	0.0001225	Pa×s	588.89	Calculated Property
η	0.0001023	Pa×s	613.64	Calculated Property
η	0.0000866	Pa×s	638.40	Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, 2-methoxyphenyl propyl ester.

Sources

• Cheméo Relay (1.0)
• 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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