Chemical Properties of «alpha»-Terpinyl acetate (CAS 80-26-2)

«alpha»-Terpinyl acetate

InChI
InChI=1S/C12H20O2/c1-9-5-7-11(8-6-9)12(3,4)14-10(2)13/h5,11H,6-8H2,1-4H3/t11-/m1/s1
InChI Key
IGODOXYLBBXFDW-LLVKDONJSA-N
Formula
C12H20O2
SMILES
CC(=O)OC(C)(C)C1CC=C(C)CC1
Molecular Weight1
196.29
CAS
80-26-2
Other Names
  • 3-Cyclohexene-1-methanol, «alpha»,«alpha»,4-trimethyl-, acetate
  • p-Menth-1-en-8-ol, acetate
  • «alpha»-Terpineol acetate
  • Terpinyl acetate
  • «alpha»-Terpenyl acetate
  • Terpenyl acetate
  • «alpha»-Terpinenyl acetate
  • Terpineol acetate
  • terpinenyl acetate
  • Alpha-Terpenyl acetate
  • 4-Terpinyl acetate
  • p-menth-1-en-8-yl acetate
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Physical Properties

Property Value Unit Source
ΔfusH° 16.46 kJ/mol Joback Calculated Property
ΔvapH° 66.29 kJ/mol Relay (1.0) Calculated Property
IE 8.46 eV Relay (1.0) Calculated Property
log10WS -2.75 Relay (1.0) Calculated Property
logPoct/wat 3.075 Crippen Calculated Property
McVol 172.220 ml/mol McGowan Calculated Property
Inp [1302.00; 1367.00]   Show Hide
Inp 1334.00 NIST
Inp 1332.30 NIST
Inp Outlier 1317.00 NIST
Inp Outlier 1367.00 NIST
Inp 1328.00 NIST
Inp 1349.00 NIST
Inp 1350.00 NIST
Inp 1352.00 NIST
Inp 1350.00 NIST
Inp 1336.00 NIST
Inp 1333.00 NIST
Inp 1331.00 NIST
Inp 1341.00 NIST
Inp 1351.00 NIST
Inp 1350.00 NIST
Inp 1337.00 NIST
Inp 1325.00 NIST
Inp 1334.00 NIST
Inp 1330.00 NIST
Inp 1350.00 NIST
Inp 1350.00 NIST
Inp 1350.00 NIST
Inp 1333.00 NIST
Inp 1337.00 NIST
Inp 1331.00 NIST
Inp 1338.00 NIST
Inp 1330.00 NIST
Inp Outlier 1309.00 NIST
Inp 1350.00 NIST
Inp 1345.00 NIST
Inp 1322.00 NIST
Inp 1351.00 NIST
Inp 1330.00 NIST
Inp 1341.00 NIST
Inp 1349.00 NIST
Inp 1346.00 NIST
Inp 1343.00 NIST
Inp 1332.00 NIST
Inp 1324.00 NIST
Inp 1334.00 NIST
Inp 1330.00 NIST
Inp 1334.00 NIST
Inp 1343.00 NIST
Inp 1328.00 NIST
Inp 1343.00 NIST
Inp 1349.00 NIST
Inp 1349.00 NIST
Inp 1333.00 NIST
Inp Outlier 1316.00 NIST
Inp 1350.00 NIST
Inp 1334.00 NIST
Inp 1330.00 NIST
Inp 1346.00 NIST
Inp 1345.00 NIST
Inp 1349.00 NIST
Inp 1330.00 NIST
Inp 1350.00 NIST
Inp 1345.00 NIST
Inp 1344.00 NIST
Inp 1329.00 NIST
Inp 1328.00 NIST
Inp 1351.00 NIST
Inp 1351.00 NIST
Inp 1351.00 NIST
Inp 1354.00 NIST
Inp 1328.00 NIST
Inp 1351.00 NIST
Inp 1352.00 NIST
Inp 1324.00 NIST
Inp 1351.00 NIST
Inp 1330.00 NIST
Inp 1350.00 NIST
Inp 1327.00 NIST
Inp 1328.00 NIST
Inp 1333.00 NIST
Inp 1351.00 NIST
Inp 1354.00 NIST
Inp 1350.00 NIST
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Inp 1340.00 NIST
Inp 1340.00 NIST
Inp 1351.00 NIST
Inp 1350.00 NIST
Inp 1332.00 NIST
Inp 1332.00 NIST
Inp 1332.00 NIST
Inp 1335.00 NIST
Inp 1333.00 NIST
Inp 1332.00 NIST
Inp 1351.00 NIST
Inp 1356.00 NIST
Inp 1347.00 NIST
Inp 1332.00 NIST
Inp 1332.00 NIST
Inp 1345.00 NIST
Inp 1335.00 NIST
Inp 1341.00 NIST
Inp 1340.00 NIST
Inp 1340.00 NIST
Inp 1328.00 NIST
Inp 1325.00 NIST
Inp 1350.00 NIST
Inp 1327.00 NIST
Inp 1333.00 NIST
Inp 1333.00 NIST
Inp 1333.00 NIST
Inp 1353.00 NIST
Inp 1333.00 NIST
Inp 1331.00 NIST
Inp 1355.50 NIST
Inp 1362.30 NIST
Inp Outlier 1307.00 NIST
Inp 1359.00 NIST
Inp 1362.00 NIST
Inp 1349.00 NIST
Inp 1346.00 NIST
Inp 1351.00 NIST
Inp 1332.00 NIST
Inp 1333.00 NIST
Inp 1353.00 NIST
Inp 1351.00 NIST
Inp 1327.00 NIST
Inp 1335.00 NIST
Inp 1353.00 NIST
Inp 1328.00 NIST
Inp 1353.00 NIST
Inp 1332.00 NIST
Inp 1344.00 NIST
Inp 1352.00 NIST
Inp 1350.00 NIST
Inp 1346.00 NIST
Inp 1332.00 NIST
Inp 1350.00 NIST
Inp 1332.00 NIST
Inp 1350.00 NIST
Inp 1358.00 NIST
Inp 1350.00 NIST
Inp 1348.00 NIST
Inp 1347.00 NIST
Inp 1349.00 NIST
Inp 1342.00 NIST
Inp 1347.30 NIST
Inp 1328.00 NIST
Inp 1328.00 NIST
Inp 1328.00 NIST
Inp 1344.00 NIST
Inp 1327.00 NIST
Inp 1349.00 NIST
Inp 1333.00 NIST
Inp 1333.00 NIST
Inp 1335.00 NIST
Inp 1353.00 NIST
Inp 1348.00 NIST
Inp 1333.00 NIST
Inp 1350.00 NIST
Inp 1354.00 NIST
Inp 1323.00 NIST
Inp 1342.00 NIST
Inp 1332.00 NIST
Inp 1348.00 NIST
Inp 1352.00 NIST
Inp 1349.00 NIST
Inp 1349.00 NIST
Inp 1349.00 NIST
Inp Outlier 1314.00 NIST
Inp 1351.00 NIST
Inp 1355.00 NIST
Inp Outlier 1302.00 NIST
Inp 1342.00 NIST
Inp 1324.00 NIST
Inp 1342.00 NIST
Inp 1350.00 NIST
Inp 1348.00 NIST
Inp Outlier 1365.00 NIST
Inp 1325.00 NIST
Inp 1362.00 NIST
Inp 1353.00 NIST
Inp 1342.00 NIST
Inp 1333.00 NIST
Inp 1349.00 NIST
Inp 1332.00 NIST
Inp 1340.00 NIST
Inp 1332.00 NIST
Inp 1351.00 NIST
Inp 1340.00 NIST
Inp 1327.00 NIST
Inp 1352.00 NIST
Inp 1332.00 NIST
Inp 1353.00 NIST
Inp 1340.00 NIST
Inp 1346.00 NIST
Inp 1346.00 NIST
Inp 1328.00 NIST
Inp 1350.00 NIST
Inp 1346.00 NIST
Inp 1333.00 NIST
Inp 1335.00 NIST
Inp 1356.00 NIST
Inp 1342.00 NIST
Inp 1356.00 NIST
Inp 1329.00 NIST
Inp 1349.00 NIST
Inp 1325.00 NIST
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Inp 1346.00 NIST
Inp 1327.00 NIST
Inp 1348.00 NIST
Inp 1338.00 NIST
Inp 1330.00 NIST
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Inp 1336.00 NIST
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Inp 1351.00 NIST
Inp 1352.00 NIST
Inp 1334.00 NIST
Inp 1334.00 NIST
Inp 1330.00 NIST
Inp 1333.00 NIST
Inp 1334.00 NIST
Inp 1333.00 NIST
Inp 1333.00 NIST
Inp 1346.00 NIST
Inp 1333.00 NIST
Inp 1334.00 NIST
Inp 1349.00 NIST
Inp 1353.00 NIST
Inp 1352.00 NIST
Inp 1348.00 NIST
Inp 1334.00 NIST
Inp 1351.00 NIST
Inp 1339.00 NIST
Inp 1335.00 NIST
Inp 1349.00 NIST
Inp 1351.00 NIST
Inp 1350.00 NIST
Inp 1350.00 NIST
Inp 1355.00 NIST
Inp 1350.00 NIST
Inp 1350.00 NIST
Inp 1352.00 NIST
Inp 1334.00 NIST
Inp Outlier 1363.00 NIST
Inp 1353.00 NIST
Inp 1349.00 NIST
Inp 1349.00 NIST
Inp Outlier 1314.00 NIST
Inp 1350.00 NIST
Inp 1344.00 NIST
Inp 1353.00 NIST
Inp 1349.00 NIST
Inp 1340.00 NIST
Inp 1350.00 NIST
Inp 1337.00 NIST
Inp 1337.00 NIST
Inp 1336.00 NIST
Inp 1344.00 NIST
Inp 1334.00 NIST
Inp 1333.00 NIST
Inp 1353.00 NIST
Inp 1350.00 NIST
Inp 1331.00 NIST
Inp 1332.00 NIST
Inp 1334.00 NIST
Inp 1344.00 NIST
Inp 1353.00 NIST
Inp 1344.00 NIST
Inp 1334.00 NIST
Inp 1348.00 NIST
Inp 1329.00 NIST
Inp 1334.00 NIST
Inp 1331.00 NIST
Inp 1333.00 NIST
Inp 1334.00 NIST
Inp 1334.00 NIST
Inp 1350.00 NIST
Inp 1332.00 NIST
Inp 1337.00 NIST
Inp 1350.00 NIST
Inp 1322.00 NIST
Inp 1346.00 NIST
Inp 1330.00 NIST
Inp 1349.00 NIST
Inp 1334.00 NIST
Inp 1328.00 NIST
Inp 1351.00 NIST
Inp 1340.00 NIST
Inp 1332.00 NIST
Inp 1345.00 NIST
Inp 1333.00 NIST
Inp Outlier 1367.00 NIST
Inp 1337.00 NIST
Ip [1648.00; 1731.00]   Show Hide
Ip 1713.00 NIST
Ip 1722.00 NIST
Ip 1685.00 NIST
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Ip 1704.00 NIST
Ip 1680.00 NIST
Ip 1688.00 NIST
Ip Outlier 1648.00 NIST
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Ip 1684.00 NIST
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Ip 1693.00 NIST
Ip 1711.00 NIST
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Ip 1700.00 NIST
Ip 1672.00 NIST
Ip 1663.00 NIST
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Ip Outlier 1650.00 NIST
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Ip Outlier 1731.00 NIST
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Ip 1688.00 NIST
Ip 1672.00 NIST
Ip 1675.00 NIST
Ip Outlier 1731.00 NIST
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Ip 1709.00 NIST
Ip 1709.00 NIST
Ip 1709.00 NIST
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Ip 1687.00 NIST
Ip 1695.00 NIST
Ip 1709.00 NIST
Ip 1709.00 NIST
Ip 1709.00 NIST
Ip 1709.00 NIST
Ip Outlier 1727.00 NIST
Ip 1709.00 NIST
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Ip 1709.00 NIST
Ip 1707.00 NIST
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Ip 1680.00 NIST
Ip 1689.00 NIST
Ip 1672.00 NIST
Ip 1688.00 NIST
Ip 1663.00 NIST
Ip 1683.00 NIST
Ip 1690.00 NIST
Ip 1664.00 NIST
Ip 1709.00 NIST
Ip 1695.00 NIST
Ip Outlier 1727.00 NIST
Ip 1705.00 NIST
Tboil 501.30 K Relay (1.0) Calculated Property
Tfus 240.53 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔvapH 68.10 kJ/mol 367.00 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [232.88; 598.73] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = 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 B1.22148e+00
Coefficient C-7.07440e-04
Coefficient D1.35300e-07
Coefficient E0.00000e+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 Show Hide
EquationY = 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 B2.04787e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
CommentLiquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
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
Property Value Unit Temperature (K) Source
Pvap [7.65e-03; 7.25] kPa [310.80; 424.10] NIST Show Hide
Equationln(Y) = A + B/(T + C)
Y is Pvap in kPa, T in K
Coefficient A1.00545e+01
Coefficient B-1.99248e+03
Coefficient C-1.77329e+02
ReferenceGardner and Brewer, 1937
CommentCoefficents calculated by NIST from author's data.
Temperature range, min.310.80
Temperature range, max.424.10
Pvap 7.65e-03 kPa 310.80 Calculated Property
Pvap 0.03 kPa 323.39 Calculated Property
Pvap 0.08 kPa 335.98 Calculated Property
Pvap 0.21 kPa 348.57 Calculated Property
Pvap 0.46 kPa 361.16 Calculated Property
Pvap 0.91 kPa 373.74 Calculated Property
Pvap 1.68 kPa 386.33 Calculated Property
Pvap 2.89 kPa 398.92 Calculated Property
Pvap 4.69 kPa 411.51 Calculated Property
Pvap 7.25 kPa 424.10 Calculated Property

Similar Compounds

«alpha»-Terpinyl acetate. «alpha»-Bisabolol, acetate. epi-«alpha»-Bisabolol, acetate. «alpha»-Bisabolol acetate. 3-Cyclohexene-1-methanol, «alpha»,«alpha»,4-trimethyl-, propanoate. Propanoic acid, 2-methyl-, 1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl ester. trans-«beta»-Terpinyl butanoate. «alpha»-Terpinyl isovalerate. Terpinyl valerate. Terpinyl formate. Terpinyl ethylene glycol ether. Menth-1-en-9-yl tiglate, p-. Tau-Cadinol acetate. 10-epi-«gamma»-eudesmol acetate. «gamma»-Eudesmol acetate.

Find more compounds similar to «alpha»-Terpinyl acetate.

Sources

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