Chemical Properties of Glutaric acid, 2,6-dimethoxyphenyl isobutyl ester

InChI

InChI=1S/C17H24O6/c1-12(2)11-22-15(18)9-6-10-16(19)23-17-13(20-3)7-5-8-14(17)21-4/h5,7-8,12H,6,9-11H2,1-4H3

InChI Key

HWXBRDJNUKSPOK-UHFFFAOYSA-N

Formula

C17H24O6

SMILES

COc1cccc(OC)c1OC(=O)CCCC(=O)OCC(C)C

Molecular Weight¹

324.37

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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_c : Critical Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1020.98	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.64	kJ/mol	Joback Calculated Property
ΔvapH°	93.26	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.979		Crippen Calculated Property
McVol	253.250	ml/mol	McGowan Calculated Property
Pc	1519.94	kPa	Joback Calculated Property
Inp	[2357.00; 2357.00]
Inp	2357.00		NIST
Inp	2357.00		NIST
Tboil	633.27	K	Relay (1.0) Calculated Property
Tc	823.49	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[749.38; 821.80]	J/mol×K	[786.04; 984.90]
Cp,gas	749.38	J/mol×K	786.04	Joback Calculated Property
Cp,gas	764.41	J/mol×K	819.18	Joback Calculated Property
Cp,gas	778.27	J/mol×K	852.33	Joback Calculated Property
Cp,gas	790.96	J/mol×K	885.47	Joback Calculated Property
Cp,gas	802.45	J/mol×K	918.61	Joback Calculated Property
Cp,gas	812.73	J/mol×K	951.76	Joback Calculated Property
Cp,gas	821.80	J/mol×K	984.90	Joback Calculated Property
η	[0.0000341; 0.0005628]	Pa×s	[446.93; 786.04]
η	0.0005628	Pa×s	446.93	Joback Calculated Property
η	0.0002714	Pa×s	503.45	Joback Calculated Property
η	0.0001516	Pa×s	559.97	Joback Calculated Property
η	0.0000943	Pa×s	616.49	Joback Calculated Property
η	0.0000635	Pa×s	673.00	Joback Calculated Property
η	0.0000454	Pa×s	729.52	Joback Calculated Property
η	0.0000341	Pa×s	786.04	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2,6-dimethoxyphenyl isobutyl 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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