Chemical Properties of Diglycolic acid, 2-formylphenyl isohexyl ester

InChI

InChI=1S/C17H22O6/c1-13(2)6-5-9-22-16(19)11-21-12-17(20)23-15-8-4-3-7-14(15)10-18/h3-4,7-8,10,13H,5-6,9,11-12H2,1-2H3

InChI Key

OWUABLIVYLSIPM-UHFFFAOYSA-N

Formula

C17H22O6

SMILES

CC(C)CCCOC(=O)COCC(=O)Oc1ccccc1C=O

Molecular Weight¹

322.35

• 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°	42.13	kJ/mol	Joback Calculated Property
log10WS	-3.23		Relay (1.0) Calculated Property
logPoct/wat	2.400		Crippen Calculated Property
McVol	248.950	ml/mol	McGowan Calculated Property
Inp	[2917.00; 2917.00]
Inp	2917.00		NIST
Inp	2917.00		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	[364.09; 800.85]	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			5.38650e+01
Coefficient B			1.28804e+00
Coefficient C			-5.61160e-04
Coefficient D			2.01000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	364.09	J/mol×K	273.00	Calculated Property
Cp,gas	440.20	J/mol×K	353.78	Calculated Property
Cp,gas	509.27	J/mol×K	434.56	Calculated Property
Cp,gas	571.36	J/mol×K	515.33	Calculated Property
Cp,gas	626.53	J/mol×K	596.11	Calculated Property
Cp,gas	674.85	J/mol×K	676.89	Calculated Property
Cp,gas	716.37	J/mol×K	757.67	Calculated Property
Cp,gas	751.17	J/mol×K	838.44	Calculated Property
Cp,gas	779.31	J/mol×K	919.22	Calculated Property
Cp,gas	800.85	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008882; 0.0000822]	Pa×s	[454.18; 706.72]	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			-1.36873e+01
Coefficient B			3.02530e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			454.18
Temperature range, max.			706.72
η	0.0008882	Pa×s	454.18	Calculated Property
η	0.0006028	Pa×s	482.24	Calculated Property
η	0.0004269	Pa×s	510.30	Calculated Property
η	0.0003134	Pa×s	538.36	Calculated Property
η	0.0002373	Pa×s	566.42	Calculated Property
η	0.0001844	Pa×s	594.48	Calculated Property
η	0.0001466	Pa×s	622.54	Calculated Property
η	0.0001189	Pa×s	650.60	Calculated Property
η	0.0000981	Pa×s	678.66	Calculated Property
η	0.0000822	Pa×s	706.72	Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, 2-formylphenyl 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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