Chemical Properties of Diglycolic acid, 2-acetylphenyl propyl ester

InChI

InChI=1S/C15H18O6/c1-3-8-20-14(17)9-19-10-15(18)21-13-7-5-4-6-12(13)11(2)16/h4-7H,3,8-10H2,1-2H3

InChI Key

ATXHVBGZXIEPKC-UHFFFAOYSA-N

Formula

C15H18O6

SMILES

CCCOC(=O)COCC(=O)Oc1ccccc1C(C)=O

Molecular Weight¹

294.30

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	36.62	kJ/mol	Joback Calculated Property
log10WS	-2.28		Relay (1.0) Calculated Property
logPoct/wat	1.764		Crippen Calculated Property
McVol	220.770	ml/mol	McGowan Calculated Property
Pc	2058.62	kPa	Joback Calculated Property
Inp	[2475.00; 2475.00]
Inp	2475.00		NIST
Inp	2475.00		NIST
Tboil	621.61	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[635.75; 696.70]	J/mol×K	[803.13; 1012.23]
Cp,gas	635.75	J/mol×K	803.13	Joback Calculated Property
Cp,gas	648.52	J/mol×K	837.98	Joback Calculated Property
Cp,gas	660.26	J/mol×K	872.83	Joback Calculated Property
Cp,gas	670.95	J/mol×K	907.68	Joback Calculated Property
Cp,gas	680.59	J/mol×K	942.53	Joback Calculated Property
Cp,gas	689.18	J/mol×K	977.38	Joback Calculated Property
Cp,gas	696.70	J/mol×K	1012.23	Joback Calculated Property
η	[0.0000791; 0.0005647]	Pa×s	[514.23; 803.13]
η	0.0005647	Pa×s	514.23	Joback Calculated Property
η	0.0003537	Pa×s	562.38	Joback Calculated Property
η	0.0002385	Pa×s	610.53	Joback Calculated Property
η	0.0001704	Pa×s	658.68	Joback Calculated Property
η	0.0001274	Pa×s	706.83	Joback Calculated Property
η	0.0000989	Pa×s	754.98	Joback Calculated Property
η	0.0000791	Pa×s	803.13	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, 2-acetylphenyl propyl 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.