Chemical Properties of Diglycolic acid, di(3-methylpent-2-yl) ester

InChI

InChI=1S/C16H30O5/c1-7-11(3)13(5)20-15(17)9-19-10-16(18)21-14(6)12(4)8-2/h11-14H,7-10H2,1-6H3

InChI Key

IASDDMMXUYNFNO-UHFFFAOYSA-N

Formula

C16H30O5

SMILES

CCC(C)C(C)OC(=O)COCC(=O)OC(C)C(C)CC

Molecular Weight¹

302.41

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	33.03	kJ/mol	Joback Calculated Property
logPoct/wat	2.959		Crippen Calculated Property
McVol	257.050	ml/mol	McGowan Calculated Property
Inp	[2282.00; 2282.00]
Inp	2282.00		NIST
Inp	2282.00		NIST
Tboil	574.00	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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, 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	[391.72; 881.65]	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			5.79340e+01
Coefficient B			1.37472e+00
Coefficient C			-5.59200e-04
Coefficient D			8.20000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	391.72	J/mol×K	273.00	Calculated Property
Cp,gas	474.65	J/mol×K	353.78	Calculated Property
Cp,gas	550.40	J/mol×K	434.56	Calculated Property
Cp,gas	618.99	J/mol×K	515.33	Calculated Property
Cp,gas	680.45	J/mol×K	596.11	Calculated Property
Cp,gas	734.80	J/mol×K	676.89	Calculated Property
Cp,gas	782.07	J/mol×K	757.67	Calculated Property
Cp,gas	822.28	J/mol×K	838.44	Calculated Property
Cp,gas	855.47	J/mol×K	919.22	Calculated Property
Cp,gas	881.65	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0059980; 0.0000729]	Pa×s	[316.97; 617.90]	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			-1.41702e+01
Coefficient B			2.86981e+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.			316.97
Temperature range, max.			617.90
η	0.0059980	Pa×s	316.97	Calculated Property
η	0.0025281	Pa×s	350.41	Calculated Property
η	0.0012387	Pa×s	383.84	Calculated Property
η	0.0006804	Pa×s	417.28	Calculated Property
η	0.0004085	Pa×s	450.72	Calculated Property
η	0.0002632	Pa×s	484.15	Calculated Property
η	0.0001794	Pa×s	517.59	Calculated Property
η	0.0001282	Pa×s	551.03	Calculated Property
η	0.0000951	Pa×s	584.46	Calculated Property
η	0.0000729	Pa×s	617.90	Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, di(3-methylpent-2-yl) 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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