Chemical Properties of Diglycolic acid, 2,6-dimethoxyphenyl isohexyl ester

InChI

InChI=1S/C18H26O7/c1-13(2)7-6-10-24-16(19)11-23-12-17(20)25-18-14(21-3)8-5-9-15(18)22-4/h5,8-9,13H,6-7,10-12H2,1-4H3

InChI Key

AKMIURKZNIMYIK-UHFFFAOYSA-N

Formula

C18H26O7

SMILES

COc1cccc(OC)c1OC(=O)COCC(=O)OCCCC(C)C

Molecular Weight¹

354.39

• 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).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	44.42	kJ/mol	Joback Calculated Property
log10WS	-3.15		Relay (1.0) Calculated Property
logPoct/wat	2.605		Crippen Calculated Property
McVol	273.210	ml/mol	McGowan Calculated Property
Inp	[3062.00; 3062.00]
Inp	3062.00		NIST
Inp	3062.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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 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	[413.75; 895.61]	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			1.06855e+02
Coefficient B			1.22268e+00
Coefficient C			-3.33520e-04
Coefficient D			-1.00400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	413.75	J/mol×K	273.00	Calculated Property
Cp,gas	493.22	J/mol×K	353.78	Calculated Property
Cp,gas	566.96	J/mol×K	434.56	Calculated Property
Cp,gas	634.63	J/mol×K	515.33	Calculated Property
Cp,gas	695.92	J/mol×K	596.11	Calculated Property
Cp,gas	750.52	J/mol×K	676.89	Calculated Property
Cp,gas	798.11	J/mol×K	757.67	Calculated Property
Cp,gas	838.37	J/mol×K	838.44	Calculated Property
Cp,gas	870.97	J/mol×K	919.22	Calculated Property
Cp,gas	895.62	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003416; 0.0000390]	Pa×s	[480.43; 721.48]	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			-1.44756e+01
Coefficient B			3.11975e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			480.43
Temperature range, max.			721.48
η	0.0003416	Pa×s	480.43	Calculated Property
η	0.0002424	Pa×s	507.21	Calculated Property
η	0.0001781	Pa×s	534.00	Calculated Property
η	0.0001347	Pa×s	560.78	Calculated Property
η	0.0001045	Pa×s	587.57	Calculated Property
η	0.0000829	Pa×s	614.35	Calculated Property
η	0.0000671	Pa×s	641.13	Calculated Property
η	0.0000552	Pa×s	667.92	Calculated Property
η	0.0000461	Pa×s	694.70	Calculated Property
η	0.0000390	Pa×s	721.48	Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, 2,6-dimethoxyphenyl isohexyl 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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