Chemical Properties of Diglycolic acid, 4-methoxybenzyl octyl ester

InChI

InChI=1S/C20H30O6/c1-3-4-5-6-7-8-13-25-19(21)15-24-16-20(22)26-14-17-9-11-18(23-2)12-10-17/h9-12H,3-8,13-16H2,1-2H3

InChI Key

HANKYJXHIVGYMA-UHFFFAOYSA-N

Formula

C20H30O6

SMILES

CCCCCCCCOC(=O)COCC(=O)OCc1ccc(OC)cc1

Molecular Weight¹

366.45

• 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).
• IE : Ionization energy (eV).
• 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°	52.32	kJ/mol	Joback Calculated Property
ΔvapH°	106.74	kJ/mol	Relay (1.0) Calculated Property
IE	8.12	eV	Relay (1.0) Calculated Property
log10WS	-4.42		Relay (1.0) Calculated Property
logPoct/wat	3.659		Crippen Calculated Property
McVol	295.520	ml/mol	McGowan Calculated Property
Pc	1234.61	kPa	Joback Calculated Property
Inp	[3421.00; 3421.00]
Inp	3421.00		NIST
Inp	3421.00		NIST
Tboil	664.69	K	Relay (1.0) Calculated Property
Tfus	294.55	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 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	[923.33; 996.05]	J/mol×K	[850.14; 1047.85]
Cp,gas	923.33	J/mol×K	850.14	Joback Calculated Property
Cp,gas	938.74	J/mol×K	883.09	Joback Calculated Property
Cp,gas	952.84	J/mol×K	916.04	Joback Calculated Property
Cp,gas	965.62	J/mol×K	949.00	Joback Calculated Property
Cp,gas	977.08	J/mol×K	981.95	Joback Calculated Property
Cp,gas	987.22	J/mol×K	1014.90	Joback Calculated Property
Cp,gas	996.05	J/mol×K	1047.85	Joback Calculated Property
η	[0.0000237; 0.0004126]	Pa×s	[483.22; 850.14]
η	0.0004126	Pa×s	483.22	Joback Calculated Property
η	0.0001961	Pa×s	544.37	Joback Calculated Property
η	0.0001083	Pa×s	605.53	Joback Calculated Property
η	0.0000667	Pa×s	666.68	Joback Calculated Property
η	0.0000446	Pa×s	727.83	Joback Calculated Property
η	0.0000317	Pa×s	788.99	Joback Calculated Property
η	0.0000237	Pa×s	850.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, 4-methoxybenzyl octyl 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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