Chemical Properties of 2-(Isobutyryloxy)-thymol methyl ether

InChI

InChI=1S/C15H22O3/c1-9(2)12-8-7-11(5)13(14(12)17-6)18-15(16)10(3)4/h7-10H,1-6H3

InChI Key

RIOPMYZNXSYRON-UHFFFAOYSA-N

Formula

C15H22O3

SMILES

COc1c(C(C)C)ccc(C)c1OC(=O)C(C)C

Molecular Weight¹

250.33

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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, 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	[574.04; 659.76]	J/mol×K	[682.05; 887.57]
Cp,gas	574.04	J/mol×K	682.05	Joback Calculated Property
Cp,gas	590.62	J/mol×K	716.30	Joback Calculated Property
Cp,gas	606.29	J/mol×K	750.56	Joback Calculated Property
Cp,gas	621.03	J/mol×K	784.81	Joback Calculated Property
Cp,gas	634.86	J/mol×K	819.06	Joback Calculated Property
Cp,gas	647.77	J/mol×K	853.31	Joback Calculated Property
Cp,gas	659.76	J/mol×K	887.57	Joback Calculated Property
η	[0.0000898; 0.0010114]	Pa×s	[387.18; 682.05]
η	0.0010114	Pa×s	387.18	Joback Calculated Property
η	0.0005382	Pa×s	436.32	Joback Calculated Property
η	0.0003254	Pa×s	485.47	Joback Calculated Property
η	0.0002158	Pa×s	534.62	Joback Calculated Property
η	0.0001534	Pa×s	583.76	Joback Calculated Property
η	0.0001150	Pa×s	632.90	Joback Calculated Property
η	0.0000898	Pa×s	682.05	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-(Isobutyryloxy)-thymol methyl ether.

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

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