Chemical Properties of Diglycolic acid, isobutyl 2-isopropylphenyl ester

InChI

InChI=1S/C17H24O5/c1-12(2)9-21-16(18)10-20-11-17(19)22-15-8-6-5-7-14(15)13(3)4/h5-8,12-13H,9-11H2,1-4H3

InChI Key

PTYOGYPXZKVNHO-UHFFFAOYSA-N

Formula

C17H24O5

SMILES

CC(C)COC(=O)COCC(=O)Oc1ccccc1C(C)C

Molecular Weight¹

308.37

• 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°	33.15	kJ/mol	Joback Calculated Property
log10WS	-3.53		Relay (1.0) Calculated Property
logPoct/wat	2.931		Crippen Calculated Property
McVol	247.380	ml/mol	McGowan Calculated Property
Inp	[2514.00; 2514.00]
Inp	2514.00		NIST
Inp	2514.00		NIST
Tboil	614.76	K	Relay (1.0) Calculated Property
Tfus	301.74	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	[733.78; 809.25]	J/mol×K	[794.14; 999.34]
Cp,gas	733.78	J/mol×K	794.14	Joback Calculated Property
Cp,gas	749.16	J/mol×K	828.34	Joback Calculated Property
Cp,gas	763.42	J/mol×K	862.54	Joback Calculated Property
Cp,gas	776.55	J/mol×K	896.74	Joback Calculated Property
Cp,gas	788.57	J/mol×K	930.94	Joback Calculated Property
Cp,gas	799.47	J/mol×K	965.14	Joback Calculated Property
Cp,gas	809.25	J/mol×K	999.34	Joback Calculated Property
η	[0.0000527; 0.0007302]	Pa×s	[456.84; 794.14]
η	0.0007302	Pa×s	456.84	Joback Calculated Property
η	0.0003706	Pa×s	513.06	Joback Calculated Property
η	0.0002151	Pa×s	569.27	Joback Calculated Property
η	0.0001376	Pa×s	625.49	Joback Calculated Property
η	0.0000948	Pa×s	681.71	Joback Calculated Property
η	0.0000691	Pa×s	737.92	Joback Calculated Property
η	0.0000527	Pa×s	794.14	Joback Calculated Property

Similar Compounds

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