Chemical Properties of Menthyl acetate (CAS 29066-34-0)

InChI

InChI=1S/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3

InChI Key

XHXUANMFYXWVNG-ADEWGFFLSA-N

Formula

C12H22O2

SMILES

CC(=O)OC1CC(C)CCC1C(C)C

Molecular Weight¹

198.30

CAS

29066-34-0

Other Names

• (+/-)-Menthol acetate
• 2-Isopropyl-5-methylcyclohexyl acetate, (1«alpha»,2«beta»,5«alpha»)-
• Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, (1R,2S,5R)-rel-
• Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, (1«alpha»,2«beta»,5«alpha»)-
• Menthol, acetate, cis-1,3,trans-1,4-

• 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).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_vap : Vapor pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical 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 Pressure, Critical Volume, Enthalpy of formation 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	[242.48; 645.46]	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			-3.80200e+01
Coefficient B			1.16408e+00
Coefficient C			-5.07800e-04
Coefficient D			2.72000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	242.48	J/mol×K	273.00	Calculated Property
Cp,gas	311.45	J/mol×K	353.78	Calculated Property
Cp,gas	374.18	J/mol×K	434.56	Calculated Property
Cp,gas	430.74	J/mol×K	515.33	Calculated Property
Cp,gas	481.22	J/mol×K	596.11	Calculated Property
Cp,gas	525.71	J/mol×K	676.89	Calculated Property
Cp,gas	564.29	J/mol×K	757.67	Calculated Property
Cp,gas	597.05	J/mol×K	838.44	Calculated Property
Cp,gas	624.08	J/mol×K	919.22	Calculated Property
Cp,gas	645.46	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0052457; 0.0002412]	Pa×s	[251.23; 520.03]	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			-1.12082e+01
Coefficient B			1.49679e+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.			251.23
Temperature range, max.			520.03
η	0.0052457	Pa×s	251.23	Calculated Property
η	0.0027854	Pa×s	281.10	Calculated Property
η	0.0016703	Pa×s	310.96	Calculated Property
η	0.0010955	Pa×s	340.83	Calculated Property
η	0.0007690	Pa×s	370.69	Calculated Property
η	0.0005691	Pa×s	400.56	Calculated Property
η	0.0004391	Pa×s	430.43	Calculated Property
η	0.0003504	Pa×s	460.29	Calculated Property
η	0.0002874	Pa×s	490.16	Calculated Property
η	0.0002412	Pa×s	520.03	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[381.62; 553.25]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.41268e+01
Coefficient B			-4.16767e+03
Coefficient C			-8.04700e+01
Temperature range, min.			381.62
Temperature range, max.			553.25
Pvap	1.33	kPa	381.62	Calculated Property
Pvap	3.04	kPa	400.69	Calculated Property
Pvap	6.32	kPa	419.76	Calculated Property
Pvap	12.15	kPa	438.83	Calculated Property
Pvap	21.86	kPa	457.90	Calculated Property
Pvap	37.17	kPa	476.97	Calculated Property
Pvap	60.22	kPa	496.04	Calculated Property
Pvap	93.50	kPa	515.11	Calculated Property
Pvap	139.91	kPa	534.18	Calculated Property
Pvap	202.66	kPa	553.25	Calculated Property

Similar Compounds

Find more compounds similar to Menthyl 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
• The Yaws Handbook of Vapor Pressure

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