Chemical Properties of Diglycolic acid, 2,6-dimethoxyphenyl propyl ester

InChI

InChI=1S/C15H20O7/c1-4-8-21-13(16)9-20-10-14(17)22-15-11(18-2)6-5-7-12(15)19-3/h5-7H,4,8-10H2,1-3H3

InChI Key

SIXVHWZENADROY-UHFFFAOYSA-N

Formula

C15H20O7

SMILES

CCCOC(=O)COCC(=O)Oc1c(OC)cccc1OC

Molecular Weight¹

312.32

• 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).
• 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°	40.17	kJ/mol	Joback Calculated Property
IE	8.06	eV	Relay (1.0) Calculated Property
logPoct/wat	1.579		Crippen Calculated Property
McVol	230.940	ml/mol	McGowan Calculated Property
Inp	[2736.00; 2736.00]
Inp	2736.00		NIST
Inp	2736.00		NIST
Tboil	632.71	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, 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	[664.73; 731.99]	J/mol×K	[763.14; 960.94]
Cp,gas	664.73	J/mol×K	763.14	Joback Calculated Property
Cp,gas	678.71	J/mol×K	796.11	Joback Calculated Property
Cp,gas	691.62	J/mol×K	829.07	Joback Calculated Property
Cp,gas	703.43	J/mol×K	862.04	Joback Calculated Property
Cp,gas	714.11	J/mol×K	895.01	Joback Calculated Property
Cp,gas	723.64	J/mol×K	927.98	Joback Calculated Property
Cp,gas	731.99	J/mol×K	960.94	Joback Calculated Property
η	[0.0000371; 0.0004071]	Pa×s	[461.62; 763.14]
η	0.0004071	Pa×s	461.62	Joback Calculated Property
η	0.0002244	Pa×s	511.87	Joback Calculated Property
η	0.0001376	Pa×s	562.13	Joback Calculated Property
η	0.0000915	Pa×s	612.38	Joback Calculated Property
η	0.0000647	Pa×s	662.63	Joback Calculated Property
η	0.0000480	Pa×s	712.89	Joback Calculated Property
η	0.0000371	Pa×s	763.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, 2,6-dimethoxyphenyl propyl 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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