Chemical Properties of Menthyl acetate (CAS 89-48-5)

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/t9-,11+,12-/m1/s1

InChI Key

XHXUANMFYXWVNG-ADEWGFFLSA-N

Formula

C12H22O2

SMILES

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

Molecular Weight¹

198.30

CAS

89-48-5

Other Names

• (+/-)-Menthol acetate
• 2-Isopropyl-5-methylcyclohexyl acetate, (1«alpha»,2«beta»,5«alpha»)-
• 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»)-
• 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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-177.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-527.45	kJ/mol	Joback Calculated Property
ΔfusH°	20.08	kJ/mol	Joback Calculated Property
ΔvapH°	50.89	kJ/mol	Joback Calculated Property
log10WS	-2.99		Crippen Calculated Property
logPoct/wat	3.010		Crippen Calculated Property
McVol	176.520	ml/mol	McGowan Calculated Property
Pc	2110.00	kPa	Joback Calculated Property
Inp	[1255.00; 1310.00]
Inp	1279.00		NIST
Inp	1279.20		NIST
Inp	Outlier 1255.00		NIST
Inp	1285.00		NIST
Inp	1280.00		NIST
Inp	1267.00		NIST
Inp	1283.00		NIST
Inp	1278.00		NIST
Inp	1294.00		NIST
Inp	1294.00		NIST
Inp	1294.00		NIST
Inp	1281.00		NIST
Inp	1304.00		NIST
Inp	1276.80		NIST
Inp	1288.20		NIST
Inp	1294.00		NIST
Inp	1295.00		NIST
Inp	1297.00		NIST
Inp	1300.00		NIST
Inp	1294.70		NIST
Inp	1281.00		NIST
Inp	1302.00		NIST
Inp	1278.00		NIST
Inp	Outlier 1310.00		NIST
Inp	1299.00		NIST
Inp	1277.00		NIST
Inp	1279.00		NIST
Inp	1286.00		NIST
Inp	1287.00		NIST
Inp	1279.00		NIST
Inp	1263.00		NIST
Inp	1295.00		NIST
Inp	1281.00		NIST
Inp	1281.00		NIST
Inp	1278.00		NIST
Inp	1294.00		NIST
Inp	1281.00		NIST
Inp	1294.00		NIST
Inp	1276.80		NIST
Inp	1279.00		NIST
Inp	1263.00		NIST
I	[1535.00; 1600.00]
I	Outlier 1600.00		NIST
I	1540.00		NIST
I	1535.00		NIST
I	1551.00		NIST
I	1561.00		NIST
I	1539.00		NIST
I	1560.00		NIST
I	1540.00		NIST
I	1574.00		NIST
I	1563.00		NIST
I	1562.00		NIST
I	1556.00		NIST
I	1585.00		NIST
I	1539.00		NIST
I	1562.00		NIST
Tboil	560.02	K	Joback Calculated Property
Tc	763.29	K	Joback Calculated Property
Tfus	281.06	K	Joback Calculated Property
Vc	0.656	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[456.30; 563.88]	J/mol×K	[560.02; 763.29]
Cp,gas	456.30	J/mol×K	560.02	Joback Calculated Property
Cp,gas	476.71	J/mol×K	593.90	Joback Calculated Property
Cp,gas	496.13	J/mol×K	627.78	Joback Calculated Property
Cp,gas	514.55	J/mol×K	661.66	Joback Calculated Property
Cp,gas	531.98	J/mol×K	695.54	Joback Calculated Property
Cp,gas	548.42	J/mol×K	729.41	Joback Calculated Property
Cp,gas	563.88	J/mol×K	763.29	Joback Calculated Property
η	[0.0002379; 0.0032505]	Pa×s	[281.06; 560.02]
η	0.0032505	Pa×s	281.06	Joback Calculated Property
η	0.0015430	Pa×s	327.55	Joback Calculated Property
η	0.0008815	Pa×s	374.05	Joback Calculated Property
η	0.0005700	Pa×s	420.54	Joback Calculated Property
η	0.0004019	Pa×s	467.03	Joback Calculated Property
η	0.0003020	Pa×s	513.53	Joback Calculated Property
η	0.0002379	Pa×s	560.02	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[381.62; 553.25]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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