Chemical Properties of Diglycolic acid, 2-acetylphenyl isohexyl ester

InChI

InChI=1S/C18H24O6/c1-13(2)7-6-10-23-17(20)11-22-12-18(21)24-16-9-5-4-8-15(16)14(3)19/h4-5,8-9,13H,6-7,10-12H2,1-3H3

InChI Key

BDWFCNCVTQZKCP-UHFFFAOYSA-N

Formula

C18H24O6

SMILES

CC(=O)c1ccccc1OC(=O)COCC(=O)OCCCC(C)C

Molecular Weight¹

336.38

• 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).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	44.03	kJ/mol	Joback Calculated Property
log10WS	-3.26		Relay (1.0) Calculated Property
logPoct/wat	2.791		Crippen Calculated Property
McVol	263.040	ml/mol	McGowan Calculated Property
Inp	[2844.00; 2844.00]
Inp	2844.00		NIST
Inp	2844.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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, 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	[381.31; 850.67]	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			4.89150e+01
Coefficient B			1.38056e+00
Coefficient C			-6.03860e-04
Coefficient D			2.50600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	381.31	J/mol×K	273.00	Calculated Property
Cp,gas	462.86	J/mol×K	353.78	Calculated Property
Cp,gas	536.87	J/mol×K	434.56	Calculated Property
Cp,gas	603.43	J/mol×K	515.33	Calculated Property
Cp,gas	662.61	J/mol×K	596.11	Calculated Property
Cp,gas	714.50	J/mol×K	676.89	Calculated Property
Cp,gas	759.17	J/mol×K	757.67	Calculated Property
Cp,gas	796.70	J/mol×K	838.44	Calculated Property
Cp,gas	827.18	J/mol×K	919.22	Calculated Property
Cp,gas	850.67	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006770; 0.0000649]	Pa×s	[473.38; 728.11]	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			-1.40007e+01
Coefficient B			3.17302e+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.			473.38
Temperature range, max.			728.11
η	0.0006770	Pa×s	473.38	Calculated Property
η	0.0004638	Pa×s	501.68	Calculated Property
η	0.0003309	Pa×s	529.99	Calculated Property
η	0.0002443	Pa×s	558.29	Calculated Property
η	0.0001857	Pa×s	586.59	Calculated Property
η	0.0001448	Pa×s	614.90	Calculated Property
η	0.0001153	Pa×s	643.20	Calculated Property
η	0.0000937	Pa×s	671.50	Calculated Property
η	0.0000774	Pa×s	699.80	Calculated Property
η	0.0000649	Pa×s	728.11	Calculated Property

Similar Compounds

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