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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[305.20; 693.23]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			4.57900e+01
Coefficient B			1.06532e+00
Coefficient C			-4.23080e-04
Coefficient D			5.20000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	305.20	J/mol×K	273.00	Calculated Property
Cp,gas	369.95	J/mol×K	353.78	Calculated Property
Cp,gas	429.26	J/mol×K	434.56	Calculated Property
Cp,gas	483.14	J/mol×K	515.33	Calculated Property
Cp,gas	531.60	J/mol×K	596.11	Calculated Property
Cp,gas	574.66	J/mol×K	676.89	Calculated Property
Cp,gas	612.34	J/mol×K	757.67	Calculated Property
Cp,gas	644.65	J/mol×K	838.44	Calculated Property
Cp,gas	671.61	J/mol×K	919.22	Calculated Property
Cp,gas	693.23	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013618; 0.0001093]	Pa×s	[357.35; 607.38]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.27272e+01
Coefficient B			2.18993e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			357.35
Temperature range, max.			607.38
η	0.0013618	Pa×s	357.35	Calculated Property
η	0.0008753	Pa×s	385.13	Calculated Property
η	0.0005970	Pa×s	412.91	Calculated Property
η	0.0004273	Pa×s	440.69	Calculated Property
η	0.0003183	Pa×s	468.48	Calculated Property
η	0.0002450	Pa×s	496.26	Calculated Property
η	0.0001939	Pa×s	524.04	Calculated Property
η	0.0001571	Pa×s	551.82	Calculated Property
η	0.0001299	Pa×s	579.60	Calculated Property
η	0.0001093	Pa×s	607.38	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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