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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[638.42; 723.96]	J/mol×K	[657.90; 833.89]
Cp,gas	638.42	J/mol×K	657.90	Joback Calculated Property
Cp,gas	654.72	J/mol×K	687.23	Joback Calculated Property
Cp,gas	670.21	J/mol×K	716.56	Joback Calculated Property
Cp,gas	684.88	J/mol×K	745.90	Joback Calculated Property
Cp,gas	698.73	J/mol×K	775.23	Joback Calculated Property
Cp,gas	711.76	J/mol×K	804.56	Joback Calculated Property
Cp,gas	723.96	J/mol×K	833.89	Joback Calculated Property
η	[0.0000650; 0.0038125]	Pa×s	[324.43; 657.90]
η	0.0038125	Pa×s	324.43	Joback Calculated Property
η	0.0011777	Pa×s	380.01	Joback Calculated Property
η	0.0004909	Pa×s	435.59	Joback Calculated Property
η	0.0002495	Pa×s	491.17	Joback Calculated Property
η	0.0001455	Pa×s	546.74	Joback Calculated Property
η	0.0000937	Pa×s	602.32	Joback Calculated Property
η	0.0000650	Pa×s	657.90	Joback 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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