Chemical Properties of Diglycolic acid, 3-methylphenyl nonyl ester

InChI

InChI=1S/C20H30O5/c1-3-4-5-6-7-8-9-13-24-19(21)15-23-16-20(22)25-18-12-10-11-17(2)14-18/h10-12,14H,3-9,13,15-16H2,1-2H3

InChI Key

ACARQMRSGSPBHU-UHFFFAOYSA-N

Formula

C20H30O5

SMILES

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

Molecular Weight¹

350.45

• 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°	51.13	kJ/mol	Joback Calculated Property
ΔvapH°	105.23	kJ/mol	Relay (1.0) Calculated Property
IE	8.28	eV	Relay (1.0) Calculated Property
log10WS	-5.05		Relay (1.0) Calculated Property
logPoct/wat	4.211		Crippen Calculated Property
McVol	289.650	ml/mol	McGowan Calculated Property
Pc	1249.49	kPa	Joback Calculated Property
Inp	[3142.00; 3142.00]
Inp	3142.00		NIST
Inp	3142.00		NIST
Tboil	654.85	K	Relay (1.0) Calculated Property
Tfus	298.45	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	[893.92; 971.38]	J/mol×K	[827.72; 1023.72]
Cp,gas	893.92	J/mol×K	827.72	Joback Calculated Property
Cp,gas	909.87	J/mol×K	860.39	Joback Calculated Property
Cp,gas	924.59	J/mol×K	893.05	Joback Calculated Property
Cp,gas	938.08	J/mol×K	925.72	Joback Calculated Property
Cp,gas	950.37	J/mol×K	958.38	Joback Calculated Property
Cp,gas	961.47	J/mol×K	991.05	Joback Calculated Property
Cp,gas	971.38	J/mol×K	1023.72	Joback Calculated Property
η	[0.0000318; 0.0006129]	Pa×s	[460.99; 827.72]
η	0.0006129	Pa×s	460.99	Joback Calculated Property
η	0.0002805	Pa×s	522.11	Joback Calculated Property
η	0.0001513	Pa×s	583.23	Joback Calculated Property
η	0.0000917	Pa×s	644.35	Joback Calculated Property
η	0.0000606	Pa×s	705.48	Joback Calculated Property
η	0.0000428	Pa×s	766.60	Joback Calculated Property
η	0.0000318	Pa×s	827.72	Joback Calculated Property

Similar Compounds

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