Chemical Properties of Diglycolic acid, heptyl 3-methylphenyl ester

InChI

InChI=1S/C18H26O5/c1-3-4-5-6-7-11-22-17(19)13-21-14-18(20)23-16-10-8-9-15(2)12-16/h8-10,12H,3-7,11,13-14H2,1-2H3

InChI Key

QVLMALPSNNOYRN-UHFFFAOYSA-N

Formula

C18H26O5

SMILES

CCCCCCCOC(=O)COCC(=O)Oc1cccc(C)c1

Molecular Weight¹

322.40

• 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°	45.95	kJ/mol	Joback Calculated Property
ΔvapH°	97.77	kJ/mol	Relay (1.0) Calculated Property
IE	8.23	eV	Relay (1.0) Calculated Property
log10WS	-4.33		Relay (1.0) Calculated Property
logPoct/wat	3.431		Crippen Calculated Property
McVol	261.470	ml/mol	McGowan Calculated Property
Pc	1438.07	kPa	Joback Calculated Property
Inp	[2888.00; 2888.00]
Inp	2888.00		NIST
Inp	2888.00		NIST
Tboil	640.74	K	Relay (1.0) Calculated Property
Tfus	290.78	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	[777.88; 854.73]	J/mol×K	[781.96; 977.15]
Cp,gas	777.88	J/mol×K	781.96	Joback Calculated Property
Cp,gas	793.49	J/mol×K	814.49	Joback Calculated Property
Cp,gas	807.97	J/mol×K	847.02	Joback Calculated Property
Cp,gas	821.33	J/mol×K	879.56	Joback Calculated Property
Cp,gas	833.57	J/mol×K	912.09	Joback Calculated Property
Cp,gas	844.71	J/mol×K	944.62	Joback Calculated Property
Cp,gas	854.73	J/mol×K	977.15	Joback Calculated Property
η	[0.0000426; 0.0007700]	Pa×s	[438.45; 781.96]
η	0.0007700	Pa×s	438.45	Joback Calculated Property
η	0.0003598	Pa×s	495.70	Joback Calculated Property
η	0.0001968	Pa×s	552.95	Joback Calculated Property
η	0.0001205	Pa×s	610.20	Joback Calculated Property
η	0.0000803	Pa×s	667.46	Joback Calculated Property
η	0.0000570	Pa×s	724.71	Joback Calculated Property
η	0.0000426	Pa×s	781.96	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, heptyl 3-methylphenyl 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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