Chemical Properties of m-«alpha»-Terpineol, acetate

InChI

InChI=1S/C12H20O2/c1-9-6-5-7-11(8-9)12(3,4)14-10(2)13/h8,11H,5-7H2,1-4H3

InChI Key

VQUFSEQEIRRWLD-UHFFFAOYSA-N

Formula

C12H20O2

SMILES

CC(=O)OC(C)(C)C1C=C(C)CCC1

Molecular Weight¹

196.29

• 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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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	[232.88; 598.73]	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			-5.06100e+01
Coefficient B			1.22148e+00
Coefficient C			-7.07440e-04
Coefficient D			1.35300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	232.88	J/mol×K	273.00	Calculated Property
Cp,gas	298.97	J/mol×K	353.78	Calculated Property
Cp,gas	357.70	J/mol×K	434.56	Calculated Property
Cp,gas	409.50	J/mol×K	515.33	Calculated Property
Cp,gas	454.80	J/mol×K	596.11	Calculated Property
Cp,gas	494.02	J/mol×K	676.89	Calculated Property
Cp,gas	527.60	J/mol×K	757.67	Calculated Property
Cp,gas	555.96	J/mol×K	838.44	Calculated Property
Cp,gas	579.53	J/mol×K	919.22	Calculated Property
Cp,gas	598.73	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0048018; 0.0001906]	Pa×s	[290.41; 535.40]	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			-1.23904e+01
Coefficient B			2.04787e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			290.41
Temperature range, max.			535.40
η	0.0048018	Pa×s	290.41	Calculated Property
η	0.0026239	Pa×s	317.63	Calculated Property
η	0.0015774	Pa×s	344.85	Calculated Property
η	0.0010215	Pa×s	372.07	Calculated Property
η	0.0007019	Pa×s	399.29	Calculated Property
η	0.0005060	Pa×s	426.52	Calculated Property
η	0.0003793	Pa×s	453.74	Calculated Property
η	0.0002938	Pa×s	480.96	Calculated Property
η	0.0002339	Pa×s	508.18	Calculated Property
η	0.0001906	Pa×s	535.40	Calculated Property

Similar Compounds

Find more compounds similar to m-«alpha»-Terpineol, acetate.

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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