Chemical Properties of Diglycolic acid, heptyl 4-methoxybenzyl ester

InChI

InChI=1S/C19H28O6/c1-3-4-5-6-7-12-24-18(20)14-23-15-19(21)25-13-16-8-10-17(22-2)11-9-16/h8-11H,3-7,12-15H2,1-2H3

InChI Key

HAXMPWJHMKLSIL-UHFFFAOYSA-N

Formula

C19H28O6

SMILES

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

Molecular Weight¹

352.43

• 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°	49.73	kJ/mol	Joback Calculated Property
ΔvapH°	103.41	kJ/mol	Relay (1.0) Calculated Property
IE	8.10	eV	Relay (1.0) Calculated Property
log10WS	-4.04		Relay (1.0) Calculated Property
logPoct/wat	3.269		Crippen Calculated Property
McVol	281.430	ml/mol	McGowan Calculated Property
Pc	1322.31	kPa	Joback Calculated Property
Inp	[3309.00; 3309.00]
Inp	3309.00		NIST
Inp	3309.00		NIST
Tboil	657.67	K	Relay (1.0) Calculated Property
Tfus	291.22	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	[864.65; 937.59]	J/mol×K	[827.26; 1023.64]
Cp,gas	864.65	J/mol×K	827.26	Joback Calculated Property
Cp,gas	879.95	J/mol×K	859.99	Joback Calculated Property
Cp,gas	893.99	J/mol×K	892.72	Joback Calculated Property
Cp,gas	906.77	J/mol×K	925.45	Joback Calculated Property
Cp,gas	918.30	J/mol×K	958.18	Joback Calculated Property
Cp,gas	928.58	J/mol×K	990.91	Joback Calculated Property
Cp,gas	937.59	J/mol×K	1023.64	Joback Calculated Property
η	[0.0000275; 0.0004645]	Pa×s	[471.95; 827.26]
η	0.0004645	Pa×s	471.95	Joback Calculated Property
η	0.0002231	Pa×s	531.17	Joback Calculated Property
η	0.0001241	Pa×s	590.39	Joback Calculated Property
η	0.0000768	Pa×s	649.61	Joback Calculated Property
η	0.0000515	Pa×s	708.82	Joback Calculated Property
η	0.0000368	Pa×s	768.04	Joback Calculated Property
η	0.0000275	Pa×s	827.26	Joback Calculated Property

Similar Compounds

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