Chemical Properties of Diglycolic acid, 4-acetylphenyl ethyl ester

InChI

InChI=1S/C14H16O6/c1-3-19-13(16)8-18-9-14(17)20-12-6-4-11(5-7-12)10(2)15/h4-7H,3,8-9H2,1-2H3

InChI Key

HIBQMBSYECRFTP-UHFFFAOYSA-N

Formula

C14H16O6

SMILES

CCOC(=O)COCC(=O)Oc1ccc(C(C)=O)cc1

Molecular Weight¹

280.27

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	37.19	kJ/mol	Joback Calculated Property
IE	8.57	eV	Relay (1.0) Calculated Property
logPoct/wat	1.374		Crippen Calculated Property
McVol	206.680	ml/mol	McGowan Calculated Property
Inp	[2673.00; 2673.00]
Inp	2673.00		NIST
Inp	2673.00		NIST
Tboil	620.96	K	Relay (1.0) Calculated Property
Tfus	330.59	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[573.25; 634.78]	J/mol×K	[744.31; 951.19]
Cp,gas	573.25	J/mol×K	744.31	Joback Calculated Property
Cp,gas	586.11	J/mol×K	778.79	Joback Calculated Property
Cp,gas	597.93	J/mol×K	813.27	Joback Calculated Property
Cp,gas	608.71	J/mol×K	847.75	Joback Calculated Property
Cp,gas	618.45	J/mol×K	882.23	Joback Calculated Property
Cp,gas	627.14	J/mol×K	916.71	Joback Calculated Property
Cp,gas	634.78	J/mol×K	951.19	Joback Calculated Property
η	[0.0000714; 0.0008845]	Pa×s	[443.30; 744.31]
η	0.0008845	Pa×s	443.30	Joback Calculated Property
η	0.0004699	Pa×s	493.47	Joback Calculated Property
η	0.0002805	Pa×s	543.64	Joback Calculated Property
η	0.0001827	Pa×s	593.80	Joback Calculated Property
η	0.0001272	Pa×s	643.97	Joback Calculated Property
η	0.0000933	Pa×s	694.14	Joback Calculated Property
η	0.0000714	Pa×s	744.31	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, 4-acetylphenyl ethyl 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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