Chemical Properties of Diglycolic acid, isobutyl 2-isopropoxyphenyl ester

InChI

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

InChI Key

BTIOTMSPINGVQU-UHFFFAOYSA-N

Formula

C17H24O6

SMILES

CC(C)COC(=O)COCC(=O)Oc1ccccc1OC(C)C

Molecular Weight¹

324.37

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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°	37.51	kJ/mol	Joback Calculated Property
log10WS	-2.95		Relay (1.0) Calculated Property
logPoct/wat	2.595		Crippen Calculated Property
McVol	253.250	ml/mol	McGowan Calculated Property
Inp	[2789.00; 2789.00]
Inp	2789.00		NIST
Inp	2789.00		NIST
Tboil	621.17	K	Relay (1.0) Calculated Property
Tfus	308.75	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[750.69; 824.44]	J/mol×K	[780.62; 981.09]
Cp,gas	750.69	J/mol×K	780.62	Joback Calculated Property
Cp,gas	766.02	J/mol×K	814.03	Joback Calculated Property
Cp,gas	780.15	J/mol×K	847.44	Joback Calculated Property
Cp,gas	793.07	J/mol×K	880.86	Joback Calculated Property
Cp,gas	804.76	J/mol×K	914.27	Joback Calculated Property
Cp,gas	815.21	J/mol×K	947.68	Joback Calculated Property
Cp,gas	824.44	J/mol×K	981.09	Joback Calculated Property
η	[0.0000312; 0.0008486]	Pa×s	[419.41; 780.62]
η	0.0008486	Pa×s	419.41	Joback Calculated Property
η	0.0003465	Pa×s	479.61	Joback Calculated Property
η	0.0001728	Pa×s	539.81	Joback Calculated Property
η	0.0000991	Pa×s	600.01	Joback Calculated Property
η	0.0000629	Pa×s	660.22	Joback Calculated Property
η	0.0000430	Pa×s	720.42	Joback Calculated Property
η	0.0000312	Pa×s	780.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diglycolic acid, isobutyl 2-isopropoxyphenyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.