Chemical Properties of Diglycolic acid, di(2-isopropoxyphenyl) ester

InChI

InChI=1S/C22H26O7/c1-15(2)26-17-9-5-7-11-19(17)28-21(23)13-25-14-22(24)29-20-12-8-6-10-18(20)27-16(3)4/h5-12,15-16H,13-14H2,1-4H3

InChI Key

ARZKOGPKYTVUTN-UHFFFAOYSA-N

Formula

C22H26O7

SMILES

CC(C)Oc1ccccc1OC(=O)COCC(=O)Oc1ccccc1OC(C)C

Molecular Weight¹

402.44

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	45.30	kJ/mol	Joback Calculated Property
log10WS	-3.86		Relay (1.0) Calculated Property
logPoct/wat	3.789		Crippen Calculated Property
McVol	305.810	ml/mol	McGowan Calculated Property
Inp	[3540.00; 3540.00]
Inp	3540.00		NIST
Inp	3540.00		NIST
Tfus	369.69	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 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	[441.03; 983.99]	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			6.76320e+01
Coefficient B			1.52968e+00
Coefficient C			-5.85520e-04
Coefficient D			-2.78000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	441.03	J/mol×K	273.00	Calculated Property
Cp,gas	534.28	J/mol×K	353.78	Calculated Property
Cp,gas	619.51	J/mol×K	434.56	Calculated Property
Cp,gas	696.63	J/mol×K	515.33	Calculated Property
Cp,gas	765.54	J/mol×K	596.11	Calculated Property
Cp,gas	826.16	J/mol×K	676.89	Calculated Property
Cp,gas	878.41	J/mol×K	757.67	Calculated Property
Cp,gas	922.18	J/mol×K	838.44	Calculated Property
Cp,gas	957.41	J/mol×K	919.22	Calculated Property
Cp,gas	983.99	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0001998; 0.0000201]	Pa×s	[536.93; 820.82]	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			-1.51624e+01
Coefficient B			3.56763e+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.			536.93
Temperature range, max.			820.82
η	0.0001998	Pa×s	536.93	Calculated Property
η	0.0001382	Pa×s	568.47	Calculated Property
η	0.0000994	Pa×s	600.02	Calculated Property
η	0.0000738	Pa×s	631.56	Calculated Property
η	0.0000564	Pa×s	663.11	Calculated Property
η	0.0000442	Pa×s	694.65	Calculated Property
η	0.0000354	Pa×s	726.19	Calculated Property
η	0.0000288	Pa×s	757.74	Calculated Property
η	0.0000239	Pa×s	789.28	Calculated Property
η	0.0000201	Pa×s	820.82	Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, di(2-isopropoxyphenyl) 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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