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

Menthyl acetate

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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-

Physical Properties

Property Value Unit Source
Δf -177.17 kJ/mol Joback Calculated Property
Δfgas -527.45 kJ/mol Joback Calculated Property
Δfus 20.08 kJ/mol Joback Calculated Property
Δvap 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]   Show Hide
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]   Show Hide
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] Show Hide
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] Show Hide
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... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.41268e+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

Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, (1«alpha»,2«beta»,5«beta»)-. Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate. Cyclohexanol, 5-methyl-2-(1-methylethyl)-, acetate, (1«alpha»,2«alpha»,5«beta»)-. Neoisomenthyl acetate. Acetic acid, p-menth-3-yl ester. Cyclohexanol, 2-methyl-5-(1-methylethyl)-, acetate, (1«alpha»,2«beta»,5«alpha»)-. Neocarvomenthyl acetate. Neoisocarvomenthyl acetate. exo-Tricyclo[6,2,1,0(2,6)]decan-8-«alpha»-ol, acetate. endo-Tricyclo[6,2,1,0(2,6)]decan-8-«alpha»-ol, acetate. endo-Tricyclo[6,2,1,0(2,6)]decan-8-«beta»-ol, acetate. exo-Tricyclo[6,2,1,0(2,6)]decan-8-«beta»-ol, acetate. 2-tert-butylcyclohexyl acetate 1. 2-tert-butylcyclohexyl acetate 2. 5«alpha»-Cholestan-3«alpha»-ol, 4«alpha»-methyl-, acetate.

Find more compounds similar to Menthyl acetate.

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.

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