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°	39.78	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	1913.58	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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[317.99; 695.36]	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			5.33240e+01
Coefficient B			1.08964e+00
Coefficient C			-4.37460e-04
Coefficient D			-1.01400e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	317.99	J/mol×K	273.00	Calculated Property
Cp,gas	383.61	J/mol×K	353.78	Calculated Property
Cp,gas	443.39	J/mol×K	434.56	Calculated Property
Cp,gas	497.29	J/mol×K	515.33	Calculated Property
Cp,gas	545.27	J/mol×K	596.11	Calculated Property
Cp,gas	587.31	J/mol×K	676.89	Calculated Property
Cp,gas	623.37	J/mol×K	757.67	Calculated Property
Cp,gas	653.42	J/mol×K	838.44	Calculated Property
Cp,gas	677.43	J/mol×K	919.22	Calculated Property
Cp,gas	695.36	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008025; 0.0000999]	Pa×s	[454.57; 680.52]	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			-1.34034e+01
Coefficient B			2.85272e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			454.57
Temperature range, max.			680.52
η	0.0008025	Pa×s	454.57	Calculated Property
η	0.0005778	Pa×s	479.68	Calculated Property
η	0.0004299	Pa×s	504.78	Calculated Property
η	0.0003289	Pa×s	529.89	Calculated Property
η	0.0002578	Pa×s	554.99	Calculated Property
η	0.0002064	Pa×s	580.10	Calculated Property
η	0.0001683	Pa×s	605.20	Calculated Property
η	0.0001395	Pa×s	630.31	Calculated Property
η	0.0001173	Pa×s	655.41	Calculated Property
η	0.0000999	Pa×s	680.52	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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.