Chemical Properties of Isophthalic acid, isobutyl 3-phenoxybenzyl ester

InChI

InChI=1S/C25H24O5/c1-18(2)16-28-24(26)20-9-7-10-21(15-20)25(27)29-17-19-8-6-13-23(14-19)30-22-11-4-3-5-12-22/h3-15,18H,16-17H2,1-2H3

InChI Key

RSVVXGKBPGURNF-UHFFFAOYSA-N

Formula

C25H24O5

SMILES

CC(C)COC(=O)c1cccc(C(=O)OCc2cccc(Oc3ccccc3)c2)c1

Molecular Weight¹

404.46

• 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

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	[992.21; 1030.89]	J/mol×K	[1035.96; 1282.66]
Cp,gas	992.21	J/mol×K	1035.96	Joback Calculated Property
Cp,gas	1002.77	J/mol×K	1077.08	Joback Calculated Property
Cp,gas	1011.62	J/mol×K	1118.19	Joback Calculated Property
Cp,gas	1018.80	J/mol×K	1159.31	Joback Calculated Property
Cp,gas	1024.37	J/mol×K	1200.43	Joback Calculated Property
Cp,gas	1028.38	J/mol×K	1241.54	Joback Calculated Property
Cp,gas	1030.89	J/mol×K	1282.66	Joback Calculated Property
η	[0.0000197; 0.0001841]	Pa×s	[627.36; 1035.96]
η	0.0001841	Pa×s	627.36	Joback Calculated Property
η	0.0001056	Pa×s	695.46	Joback Calculated Property
η	0.0000669	Pa×s	763.56	Joback Calculated Property
η	0.0000457	Pa×s	831.66	Joback Calculated Property
η	0.0000331	Pa×s	899.76	Joback Calculated Property
η	0.0000250	Pa×s	967.86	Joback Calculated Property
η	0.0000197	Pa×s	1035.96	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, isobutyl 3-phenoxybenzyl 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.