Chemical Properties of 6,10-Dihydromyrcenyl acetate

InChI

InChI=1S/C12H22O2/c1-6-10(2)8-7-9-12(4,5)14-11(3)13/h6,10H,1,7-9H2,2-5H3

InChI Key

BEARMGATPGLSKG-UHFFFAOYSA-N

Formula

C12H22O2

SMILES

C=CC(C)CCCC(C)(C)OC(C)=O

Molecular Weight¹

198.31

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_p : 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, 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	[264.80; 620.02]	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			-1.17570e+01
Coefficient B			1.20078e+00
Coefficient C			-7.32300e-04
Coefficient D			1.63300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	264.80	J/mol×K	273.00	Calculated Property
Cp,gas	328.63	J/mol×K	353.78	Calculated Property
Cp,gas	385.16	J/mol×K	434.56	Calculated Property
Cp,gas	434.92	J/mol×K	515.33	Calculated Property
Cp,gas	478.41	J/mol×K	596.11	Calculated Property
Cp,gas	516.16	J/mol×K	676.89	Calculated Property
Cp,gas	548.68	J/mol×K	757.67	Calculated Property
Cp,gas	576.48	J/mol×K	838.44	Calculated Property
Cp,gas	600.09	J/mol×K	919.22	Calculated Property
Cp,gas	620.02	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0104447; 0.0002000]	Pa×s	[252.99; 495.83]	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			-1.26382e+01
Coefficient B			2.04328e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			252.99
Temperature range, max.			495.83
η	0.0104447	Pa×s	252.99	Calculated Property
η	0.0047957	Pa×s	279.97	Calculated Property
η	0.0025249	Pa×s	306.95	Calculated Property
η	0.0014745	Pa×s	333.94	Calculated Property
η	0.0009332	Pa×s	360.92	Calculated Property
η	0.0006294	Pa×s	387.90	Calculated Property
η	0.0004469	Pa×s	414.88	Calculated Property
η	0.0003308	Pa×s	441.87	Calculated Property
η	0.0002535	Pa×s	468.85	Calculated Property
η	0.0002000	Pa×s	495.83	Calculated Property

Similar Compounds

Find more compounds similar to 6,10-Dihydromyrcenyl 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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