Chemical Properties of Geranyl acetate (CAS 105-87-3)

Geranyl acetate

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InChI
InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8+
InChI Key
HIGQPQRQIQDZMP-DHZHZOJOSA-N
Formula
C12H20O2
SMILES
CC(=O)OCC=C(C)CCC=C(C)C
Molecular Weight1
196.29
CAS
105-87-3
Other Names
  • (2E)-3,7-Dimethyl-2,6-octadienyl acetate
  • (E)-3,7-Dimethyl-2,6-octadien-1-ol acetate
  • (E)-3,7-Dimethyl-2,6-octadien-1-yl acetate
  • 2,6-Octadien-1-ol, 3,7-dimethyl-, 1-acetate, (2E)-
  • 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (2E)-
  • 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (E)-
  • 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, trans-
  • 3,7-Dimethyl-2-trans, 6-octadienyl acetate
  • Acetic acid, geraniol ester
  • Bay pine (oyster) oil
  • Geraniol acetate
  • Geranyl ethanoate
  • Meraneine
  • NCI-C54728
  • NSC 2584
  • trans-2,6-Dimethyl-2,6-octadien-8-yl ethanoate
  • trans-3,7-Dimethyl-2,6-octadien-1-ol, acetate
  • trans-3,7-Dimethyl-2,6-octadien-1-yl acetate
  • trans-Geranyl acetate
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Physical Properties

Property Value Unit Source
Δf -40.42 kJ/mol Joback Calculated Property
Δfgas -320.95 kJ/mol Joback Calculated Property
Δfus 27.41 kJ/mol Joback Calculated Property
Δvap 51.54 kJ/mol Joback Calculated Property
log10WS -3.42 Crippen Calculated Property
logPoct/wat 3.242 Crippen Calculated Property
McVol 178.780 ml/mol McGowan Calculated Property
Pc 2047.46 kPa Joback Calculated Property
Inp [1340.00; 1411.00]   Show Hide
Inp 1359.70 NIST
Inp 1363.00 NIST
Inp 1363.00 NIST
Inp 1392.00 NIST
Inp 1386.00 NIST
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Inp 1376.00 NIST
Inp 1381.00 NIST
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Inp 1372.00 NIST
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Inp 1359.00 NIST
Inp 1362.00 NIST
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Inp 1359.00 NIST
Inp 1358.00 NIST
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Inp 1362.00 NIST
Inp 1391.00 NIST
Inp 1362.00 NIST
Inp 1383.00 NIST
Inp 1383.00 NIST
Inp 1359.00 NIST
Inp 1364.00 NIST
Inp 1358.00 NIST
Inp 1360.00 NIST
Inp 1357.00 NIST
Inp 1362.00 NIST
Inp 1365.00 NIST
Inp 1359.00 NIST
Inp 1363.00 NIST
Inp 1385.00 NIST
Inp 1360.00 NIST
Inp 1378.00 NIST
Inp 1360.00 NIST
Inp 1385.00 NIST
Inp 1381.00 NIST
Inp 1362.00 NIST
Inp 1364.00 NIST
Inp 1356.00 NIST
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Inp 1358.00 NIST
Inp 1362.00 NIST
Inp 1393.00 NIST
Inp 1383.00 NIST
Inp 1377.00 NIST
Inp 1383.00 NIST
Inp 1388.00 NIST
Inp 1360.00 NIST
Inp 1385.00 NIST
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Inp 1379.00 NIST
Inp 1358.00 NIST
Inp 1359.00 NIST
Inp 1360.00 NIST
Inp 1359.00 NIST
Inp 1385.00 NIST
Inp 1381.00 NIST
Inp 1381.00 NIST
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Inp 1365.00 NIST
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Inp 1360.00 NIST
Inp 1355.00 NIST
Inp 1388.00 NIST
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Inp 1358.00 NIST
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Inp 1363.00 NIST
Inp 1358.00 NIST
Inp 1383.00 NIST
Inp 1384.00 NIST
Inp 1379.00 NIST
Inp 1364.00 NIST
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Inp 1383.00 NIST
Inp 1383.00 NIST
Inp 1379.00 NIST
Inp 1383.00 NIST
Inp 1359.00 NIST
Inp 1354.00 NIST
Inp 1357.00 NIST
Inp 1379.00 NIST
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Inp 1379.00 NIST
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Inp 1381.00 NIST
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Inp 1365.00 NIST
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Inp 1358.00 NIST
Inp 1381.00 NIST
Inp 1383.00 NIST
Inp 1382.00 NIST
Inp 1388.00 NIST
Inp 1379.00 NIST
Inp 1383.00 NIST
Inp 1383.00 NIST
Inp 1358.00 NIST
Inp 1387.00 NIST
Inp 1362.00 NIST
Inp 1359.00 NIST
Inp 1359.00 NIST
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Inp 1377.00 NIST
Inp 1353.00 NIST
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Inp 1380.00 NIST
Inp 1383.00 NIST
Inp 1367.00 NIST
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Inp 1381.00 NIST
Inp 1379.00 NIST
Inp 1379.00 NIST
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Inp 1358.00 NIST
Inp 1358.00 NIST
Inp 1358.00 NIST
Inp 1360.00 NIST
Inp 1384.00 NIST
Inp 1359.00 NIST
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Inp 1381.00 NIST
Inp 1365.00 NIST
Inp 1366.00 NIST
Inp 1377.00 NIST
Inp 1359.00 NIST
Inp 1362.00 NIST
Inp 1380.00 NIST
Inp 1360.30 NIST
Inp 1361.50 NIST
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Inp 1359.00 NIST
Inp 1357.00 NIST
Inp 1361.00 NIST
Inp 1361.00 NIST
Inp 1383.00 NIST
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Inp 1386.00 NIST
Inp 1380.00 NIST
Inp 1381.00 NIST
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Inp 1387.00 NIST
Inp 1359.00 NIST
Inp 1388.00 NIST
Inp 1387.00 NIST
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Inp 1383.00 NIST
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Inp 1388.00 NIST
Inp 1364.00 NIST
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Inp 1373.00 NIST
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Inp 1388.00 NIST
Inp 1390.00 NIST
Inp 1378.00 NIST
Inp 1357.00 NIST
Inp 1360.00 NIST
Inp 1379.00 NIST
Inp Outlier 1411.00 NIST
Inp 1381.00 NIST
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Inp 1381.00 NIST
Inp 1360.00 NIST
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Inp 1347.00 NIST
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Inp Outlier 1409.00 NIST
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Inp 1384.00 NIST
Inp Outlier 1342.00 NIST
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Inp 1386.00 NIST
Inp 1350.00 NIST
Inp Outlier 1342.00 NIST
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Inp 1380.00 NIST
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Inp 1358.00 NIST
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Inp 1385.00 NIST
Inp 1371.00 NIST
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Inp 1386.00 NIST
Inp 1361.00 NIST
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Inp 1363.00 NIST
Inp 1369.00 NIST
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Inp 1362.00 NIST
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Inp 1363.00 NIST
Inp 1381.00 NIST
Inp 1363.00 NIST
Inp 1387.00 NIST
Inp 1381.00 NIST
Inp 1362.00 NIST
Inp 1360.00 NIST
Inp Outlier 1340.00 NIST
Inp 1383.00 NIST
Inp 1361.00 NIST
Inp 1385.00 NIST
Inp 1354.00 NIST
Inp 1380.00 NIST
Inp 1364.00 NIST
Inp 1362.00 NIST
Inp 1379.00 NIST
Inp Outlier 1340.00 NIST
Inp Outlier 1340.00 NIST
Inp 1382.00 NIST
Inp Outlier 1340.00 NIST
Inp 1363.00 NIST
Inp 1383.00 NIST
Inp Outlier 1345.00 NIST
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Inp 1388.00 NIST
Inp 1382.00 NIST
Inp 1362.00 NIST
Inp 1380.00 NIST
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Inp 1364.00 NIST
Inp 1384.00 NIST
Inp Outlier 1344.00 NIST
Inp 1369.00 NIST
Inp 1376.00 NIST
Inp 1359.00 NIST
Inp 1357.00 NIST
Inp 1380.00 NIST
Inp 1386.00 NIST
Inp 1349.00 NIST
Inp Outlier 1398.00 NIST
Inp 1387.00 NIST
Inp 1365.00 NIST
Inp 1356.00 NIST
Inp 1384.00 NIST
Inp 1365.00 NIST
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Inp 1349.00 NIST
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Inp 1383.50 NIST
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Inp 1364.00 NIST
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Inp 1364.00 NIST
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Inp 1361.00 NIST
Inp 1361.00 NIST
Inp 1359.00 NIST
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Inp 1377.00 NIST
Inp 1363.00 NIST
Inp 1364.00 NIST
Inp 1359.00 NIST
Inp 1362.00 NIST
Inp 1357.00 NIST
Inp 1362.00 NIST
Inp 1364.00 NIST
Inp 1362.00 NIST
Inp 1361.00 NIST
Inp 1367.00 NIST
Inp 1358.00 NIST
Inp 1389.00 NIST
Inp 1360.00 NIST
Inp 1360.00 NIST
Inp 1383.00 NIST
Inp 1370.00 NIST
Inp 1386.00 NIST
Inp 1383.00 NIST
Inp 1379.00 NIST
Inp 1359.00 NIST
Inp 1360.00 NIST
Inp 1393.00 NIST
Inp 1384.00 NIST
Inp 1382.00 NIST
Inp 1390.00 NIST
Inp 1381.00 NIST
Inp 1380.00 NIST
Inp 1379.00 NIST
Inp 1383.00 NIST
Inp 1360.00 NIST
Inp 1384.00 NIST
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Inp 1357.00 NIST
Inp 1384.00 NIST
Inp 1370.00 NIST
Inp 1380.00 NIST
Inp 1381.00 NIST
Inp 1381.00 NIST
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Inp 1381.00 NIST
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Inp 1380.00 NIST
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Inp 1380.00 NIST
Inp 1367.00 NIST
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Inp 1381.00 NIST
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Inp 1370.00 NIST
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Inp 1364.00 NIST
Inp 1370.00 NIST
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Inp 1364.00 NIST
Inp 1364.00 NIST
Inp 1370.00 NIST
Inp 1360.00 NIST
Inp 1363.00 NIST
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Inp 1359.00 NIST
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Inp 1383.00 NIST
Inp 1364.00 NIST
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I [1705.00; 1794.00]   Show Hide
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Tboil 558.33 K Joback Calculated Property
Tc 748.06 K Joback Calculated Property
Tfus 259.08 K Joback Calculated Property
Vc 0.694 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [426.65; 508.12] J/mol×K [558.33; 748.06] Show Hide
Cp,gas 426.65 J/mol×K 558.33 Joback Calculated Property
Cp,gas 442.01 J/mol×K 589.95 Joback Calculated Property
Cp,gas 456.62 J/mol×K 621.57 Joback Calculated Property
Cp,gas 470.50 J/mol×K 653.20 Joback Calculated Property
Cp,gas 483.69 J/mol×K 684.82 Joback Calculated Property
Cp,gas 496.22 J/mol×K 716.44 Joback Calculated Property
Cp,gas 508.12 J/mol×K 748.06 Joback Calculated Property
ΔvapH 58.10 kJ/mol 431.00 NIST

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 411.20 K 3.30 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.64] kPa [388.22; 545.77] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.73185e+01
Coefficient B-6.41278e+03
Coefficient C-1.16860e+01
Temperature range, min.388.22
Temperature range, max.545.77
Pvap 1.33 kPa 388.22 Calculated Property
Pvap 2.84 kPa 405.73 Calculated Property
Pvap 5.68 kPa 423.23 Calculated Property
Pvap 10.72 kPa 440.74 Calculated Property
Pvap 19.26 kPa 458.24 Calculated Property
Pvap 33.10 kPa 475.75 Calculated Property
Pvap 54.71 kPa 493.25 Calculated Property
Pvap 87.28 kPa 510.76 Calculated Property
Pvap 134.90 kPa 528.26 Calculated Property
Pvap 202.64 kPa 545.77 Calculated Property

Similar Compounds

Acetic acid, geranyl ester. 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate, (Z)-. 2,6-Octadien-1-ol, 3,7-dimethyl-, acetate. (Z,E)-Farnesyl acetate. (E,Z)-farnesyl acetate. 2,6,10,14-Hexadecatetraen-1-ol, 3,7,11,15-tetramethyl-, acetate, (E,E,E)-. 2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, acetate, (E,E)-. (Z)-Farnesyl acetate. Farnesyl acetate. 2,6-Octadien-1-ol, 3,7-dimethyl-, propanoate, (Z)-. Geranyl propionate. (2E,6E)-3,7,11-Trimethyldodeca-2,6,10-trienyl propionate. Geranyl ethyl ether 1. Geranyl ethyl ether, # 1. 2,6-Dimethyl-2,6-octadiene-1,8-diol diacetate.

Find more compounds similar to Geranyl acetate.

Sources

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