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

InChI

InChI=1S/C14H26O5/c1-5-11(3)7-18-13(15)9-17-10-14(16)19-8-12(4)6-2/h11-12H,5-10H2,1-4H3

InChI Key

QKBABHZCAXPULQ-UHFFFAOYSA-N

Formula

C14H26O5

SMILES

CCC(C)COC(=O)COCC(=O)OCC(C)CC

Molecular Weight¹

274.35

• 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).
• IE : Ionization energy (eV).
• 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_c : Critical 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°	34.90	kJ/mol	Joback Calculated Property
IE	9.35	eV	Relay (1.0) Calculated Property
logPoct/wat	2.182		Crippen Calculated Property
McVol	228.870	ml/mol	McGowan Calculated Property
Pc	1534.26	kPa	Joback Calculated Property
Inp	[2201.00; 2201.00]
Inp	2201.00		NIST
Inp	2201.00		NIST
Tboil	581.22	K	Relay (1.0) Calculated Property
Tc	733.85	K	Relay (1.0) Calculated Property
Tfus	229.06	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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	[349.92; 777.40]	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			6.31160e+01
Coefficient B			1.17288e+00
Coefficient C			-4.44000e-04
Coefficient D			-1.46000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	349.92	J/mol×K	273.00	Calculated Property
Cp,gas	421.84	J/mol×K	353.78	Calculated Property
Cp,gas	487.76	J/mol×K	434.56	Calculated Property
Cp,gas	547.63	J/mol×K	515.33	Calculated Property
Cp,gas	601.42	J/mol×K	596.11	Calculated Property
Cp,gas	649.07	J/mol×K	676.89	Calculated Property
Cp,gas	690.54	J/mol×K	757.67	Calculated Property
Cp,gas	725.78	J/mol×K	838.44	Calculated Property
Cp,gas	754.75	J/mol×K	919.22	Calculated Property
Cp,gas	777.40	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0038125; 0.0001076]	Pa×s	[324.43; 583.72]	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			-1.36016e+01
Coefficient B			2.60585e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			324.43
Temperature range, max.			583.72
η	0.0038125	Pa×s	324.43	Calculated Property
η	0.0019801	Pa×s	353.24	Calculated Property
η	0.0011353	Pa×s	382.05	Calculated Property
η	0.0007037	Pa×s	410.86	Calculated Property
η	0.0004644	Pa×s	439.67	Calculated Property
η	0.0003226	Pa×s	468.48	Calculated Property
η	0.0002337	Pa×s	497.29	Calculated Property
η	0.0001754	Pa×s	526.10	Calculated Property
η	0.0001356	Pa×s	554.91	Calculated Property
η	0.0001076	Pa×s	583.72	Calculated Property

Similar Compounds

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