Chemical Properties of Isophthalic acid, 1-adamantylmethyl isobutyl ester

InChI

InChI=1S/C23H30O4/c1-15(2)13-26-21(24)19-4-3-5-20(9-19)22(25)27-14-23-10-16-6-17(11-23)8-18(7-16)12-23/h3-5,9,15-18H,6-8,10-14H2,1-2H3

InChI Key

UTFVDGIJHSHNQO-UHFFFAOYSA-N

Formula

C23H30O4

SMILES

CC(C)COC(=O)c1cccc(C(=O)OCC23CC4CC(CC(C4)C2)C3)c1

Molecular Weight¹

370.49

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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

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	[999.49; 1119.95]	J/mol×K	[893.56; 1121.54]
Cp,gas	999.49	J/mol×K	893.56	Joback Calculated Property
Cp,gas	1020.11	J/mol×K	931.56	Joback Calculated Property
Cp,gas	1040.21	J/mol×K	969.55	Joback Calculated Property
Cp,gas	1060.01	J/mol×K	1007.55	Joback Calculated Property
Cp,gas	1079.76	J/mol×K	1045.55	Joback Calculated Property
Cp,gas	1099.66	J/mol×K	1083.54	Joback Calculated Property
Cp,gas	1119.95	J/mol×K	1121.54	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, 1-adamantylmethyl isobutyl 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.