Chemical Properties of Diglycolic acid, 4-acetylphenyl hexyl ester

InChI

InChI=1S/C18H24O6/c1-3-4-5-6-11-23-17(20)12-22-13-18(21)24-16-9-7-15(8-10-16)14(2)19/h7-10H,3-6,11-13H2,1-2H3

InChI Key

QCJQTTMIKHEZMC-UHFFFAOYSA-N

Formula

C18H24O6

SMILES

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

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	47.55	kJ/mol	Joback Calculated Property
ΔvapH°	102.29	kJ/mol	Relay (1.0) Calculated Property
log10WS	-3.69		Relay (1.0) Calculated Property
logPoct/wat	2.935		Crippen Calculated Property
McVol	263.040	ml/mol	McGowan Calculated Property
Pc	1509.33	kPa	Joback Calculated Property
Inp	[3171.00; 3171.00]
Inp	3171.00		NIST
Inp	3171.00		NIST
Tboil	650.55	K	Relay (1.0) Calculated Property
Tfus	319.81	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation 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	[794.86; 859.00]	J/mol×K	[835.83; 1038.56]
Cp,gas	794.86	J/mol×K	835.83	Joback Calculated Property
Cp,gas	808.58	J/mol×K	869.62	Joback Calculated Property
Cp,gas	821.08	J/mol×K	903.41	Joback Calculated Property
Cp,gas	832.36	J/mol×K	937.20	Joback Calculated Property
Cp,gas	842.44	J/mol×K	970.99	Joback Calculated Property
Cp,gas	851.32	J/mol×K	1004.77	Joback Calculated Property
Cp,gas	859.00	J/mol×K	1038.56	Joback Calculated Property
η	[0.0000404; 0.0005831]	Pa×s	[488.38; 835.83]
η	0.0005831	Pa×s	488.38	Joback Calculated Property
η	0.0002953	Pa×s	546.29	Joback Calculated Property
η	0.0001703	Pa×s	604.20	Joback Calculated Property
η	0.0001082	Pa×s	662.11	Joback Calculated Property
η	0.0000739	Pa×s	720.01	Joback Calculated Property
η	0.0000535	Pa×s	777.92	Joback Calculated Property
η	0.0000404	Pa×s	835.83	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, 4-acetylphenyl hexyl 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.
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