Chemical Properties of 6-Octen-1-ol, 3,7-dimethyl-, acetate (CAS 150-84-5)

6-Octen-1-ol, 3,7-dimethyl-, acetate

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InChI
InChI=1S/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,11H,5,7-9H2,1-4H3
InChI Key
JOZKFWLRHCDGJA-UHFFFAOYSA-N
Formula
C12H22O2
SMILES
CC(=O)OCCC(C)CCC=C(C)C
Molecular Weight1
198.30
CAS
150-84-5
Other Names
  • (.+-.)-citronellyl acetate
  • 1-Acetoxy-3,7-dimethyloct-6-ene
  • 2-Octen-8-ol, 2,6-dimethyl-, acetate
  • 3,7-Dimethyl-6-octen-1-yl acetate
  • 3,7-Dimethyl-6-octenyl acetate
  • 6-Octen-1-ol, 3,7-dimethyl-, 1-acetate
  • Acetic acid, 3,7-dimethyl-6-octen-1-yl ester
  • Acetic acid, citronellyl ester
  • Acetic acid, rhodinyl ester
  • Cephreine
  • Citronellol acetate
  • CitronellyI acetate
  • Citronellyl acetate
  • Cytronellyl acetate
  • NSC 4893
  • Natural rhodinol, acetylated
  • dl-citronellol acetate
  • «beta»-Citronellol, acetate
  • «beta»-Citronellyl acetate
  • «beta»-Citronellol, acetate
  • «beta»-Citronellyl acetate
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Physical Properties

Property Value Unit Source
Δf -114.53 kJ/mol Joback Calculated Property
Δfgas -433.66 kJ/mol Joback Calculated Property
Δfus 24.99 kJ/mol Joback Calculated Property
Δvap 51.11 kJ/mol Joback Calculated Property
log10WS -3.32 Crippen Calculated Property
logPoct/wat 3.322 Crippen Calculated Property
McVol 183.080 ml/mol McGowan Calculated Property
Pc 1959.60 kPa Joback Calculated Property
Inp [1314.00; 1376.00]   Show Hide
Inp 1335.00 NIST
Inp 1335.00 NIST
Inp 1336.00 NIST
Inp 1354.00 NIST
Inp 1357.00 NIST
Inp 1356.00 NIST
Inp 1354.00 NIST
Inp 1347.00 NIST
Inp 1337.00 NIST
Inp 1357.00 NIST
Inp 1341.00 NIST
Inp Outlier 1376.00 NIST
Inp 1347.00 NIST
Inp 1338.00 NIST
Inp 1333.00 NIST
Inp 1354.00 NIST
Inp 1354.00 NIST
Inp 1354.00 NIST
Inp 1337.00 NIST
Inp 1360.00 NIST
Inp 1337.00 NIST
Inp 1333.00 NIST
Inp 1334.00 NIST
Inp 1332.00 NIST
Inp 1352.00 NIST
Inp 1329.00 NIST
Inp 1335.00 NIST
Inp 1325.00 NIST
Inp 1331.00 NIST
Inp 1354.00 NIST
Inp 1355.00 NIST
Inp 1354.00 NIST
Inp 1353.00 NIST
Inp 1331.00 NIST
Inp 1331.00 NIST
Inp 1356.00 NIST
Inp 1351.00 NIST
Inp 1353.00 NIST
Inp 1334.00 NIST
Inp 1354.00 NIST
Inp 1355.00 NIST
Inp 1353.00 NIST
Inp 1357.00 NIST
Inp 1332.00 NIST
Inp 1354.00 NIST
Inp 1347.00 NIST
Inp 1336.00 NIST
Inp 1333.00 NIST
Inp 1354.00 NIST
Inp 1351.00 NIST
Inp 1349.00 NIST
Inp 1335.00 NIST
Inp 1353.00 NIST
Inp Outlier 1314.00 NIST
Inp 1357.00 NIST
Inp 1326.00 NIST
Inp 1331.00 NIST
Inp 1340.00 NIST
Inp 1357.00 NIST
Inp 1333.00 NIST
Inp 1348.00 NIST
Inp 1355.00 NIST
Inp 1349.00 NIST
Inp 1332.00 NIST
Inp 1355.00 NIST
Inp 1335.00 NIST
Inp 1338.00 NIST
Inp 1332.00 NIST
Inp 1352.00 NIST
Inp 1336.00 NIST
Inp 1349.00 NIST
Inp 1349.00 NIST
Inp 1332.00 NIST
Inp 1332.00 NIST
Inp 1338.00 NIST
Inp 1335.00 NIST
Inp 1343.00 NIST
Inp 1338.00 NIST
Inp 1333.00 NIST
Inp 1336.00 NIST
Inp 1348.00 NIST
Inp 1332.10 NIST
Inp 1333.40 NIST
Inp 1332.10 NIST
Inp 1333.70 NIST
Inp 1334.00 NIST
Inp 1336.00 NIST
Inp 1351.90 NIST
Inp 1354.00 NIST
Inp 1348.00 NIST
Inp 1353.00 NIST
Inp 1347.00 NIST
Inp 1358.00 NIST
Inp 1361.00 NIST
Inp 1355.00 NIST
Inp 1332.00 NIST
Inp 1354.00 NIST
Inp 1335.00 NIST
Inp 1349.00 NIST
Inp 1360.00 NIST
Inp 1360.00 NIST
Inp 1343.00 NIST
Inp 1333.00 NIST
Inp 1355.00 NIST
Inp 1335.00 NIST
Inp 1342.00 NIST
Inp 1361.00 NIST
Inp 1349.00 NIST
Inp 1326.00 NIST
Inp 1354.00 NIST
Inp 1332.00 NIST
Inp 1355.00 NIST
Inp 1355.00 NIST
Inp 1333.00 NIST
Inp 1363.00 NIST
Inp 1338.00 NIST
Inp 1358.00 NIST
Inp 1347.00 NIST
Inp 1352.00 NIST
Inp 1357.00 NIST
Inp 1353.00 NIST
Inp 1343.00 NIST
Inp Outlier 1314.00 NIST
Inp 1353.00 NIST
Inp 1334.00 NIST
Inp 1344.00 NIST
Inp 1342.00 NIST
Inp 1342.00 NIST
Inp 1350.00 NIST
Inp 1354.00 NIST
Inp 1342.00 NIST
Inp Outlier 1368.00 NIST
Inp 1330.00 NIST
Inp 1334.00 NIST
Inp 1334.00 NIST
Inp 1332.00 NIST
Inp 1341.00 NIST
Inp 1355.00 NIST
Inp 1333.00 NIST
Inp 1334.00 NIST
Inp 1353.00 NIST
Inp 1351.00 NIST
Inp 1334.00 NIST
Inp 1333.00 NIST
Inp 1335.00 NIST
Inp 1338.00 NIST
Inp 1354.00 NIST
Inp 1338.00 NIST
Inp 1355.00 NIST
Inp 1332.00 NIST
Inp 1332.00 NIST
Inp 1335.00 NIST
Inp 1336.00 NIST
Inp 1340.00 NIST
Inp 1358.00 NIST
Inp 1335.00 NIST
Inp 1335.00 NIST
Inp 1335.00 NIST
Inp 1333.00 NIST
Inp 1336.00 NIST
Inp 1339.00 NIST
Inp 1335.00 NIST
Inp 1336.00 NIST
Inp 1336.00 NIST
Inp 1336.00 NIST
Inp 1336.00 NIST
Inp 1335.00 NIST
Inp 1333.00 NIST
Inp 1334.00 NIST
Inp 1338.00 NIST
Inp 1354.00 NIST
Inp 1352.00 NIST
Inp 1353.00 NIST
Inp 1341.00 NIST
Inp 1354.00 NIST
Inp 1354.00 NIST
Inp 1348.00 NIST
Inp 1362.00 NIST
Inp 1353.00 NIST
Inp 1356.00 NIST
Inp 1353.00 NIST
Inp 1354.00 NIST
Inp 1354.00 NIST
Inp 1353.00 NIST
Inp 1353.00 NIST
Inp 1356.00 NIST
Inp 1335.00 NIST
Inp 1356.00 NIST
Inp 1334.00 NIST
Inp 1337.00 NIST
Inp 1335.00 NIST
Inp 1335.00 NIST
Inp 1351.00 NIST
Inp 1335.00 NIST
Inp 1337.00 NIST
Inp 1343.00 NIST
Inp 1354.00 NIST
Inp 1335.00 NIST
Inp 1335.00 NIST
Inp 1360.00 NIST
Inp 1335.00 NIST
Inp 1354.00 NIST
Inp 1363.00 NIST
Inp 1357.00 NIST
Inp 1334.00 NIST
Inp 1332.00 NIST
Inp 1358.00 NIST
Inp 1336.00 NIST
Inp 1338.00 NIST
Inp 1347.00 NIST
I [1610.00; 1692.00]   Show Hide
I 1671.00 NIST
I 1671.00 NIST
I 1662.00 NIST
I 1672.00 NIST
I 1645.00 NIST
I 1657.00 NIST
I 1655.00 NIST
I 1657.00 NIST
I 1662.00 NIST
I 1658.00 NIST
I 1666.00 NIST
I 1655.00 NIST
I 1658.00 NIST
I Outlier 1623.00 NIST
I 1648.00 NIST
I 1662.00 NIST
I 1648.00 NIST
I 1675.00 NIST
I 1663.00 NIST
I 1658.00 NIST
I 1654.00 NIST
I 1654.00 NIST
I 1673.00 NIST
I 1668.00 NIST
I 1668.00 NIST
I 1657.00 NIST
I 1657.00 NIST
I 1657.00 NIST
I 1644.00 NIST
I 1651.00 NIST
I 1643.00 NIST
I 1660.00 NIST
I 1662.00 NIST
I 1661.60 NIST
I 1663.30 NIST
I 1661.40 NIST
I 1661.60 NIST
I 1648.00 NIST
I 1649.00 NIST
I Outlier 1692.00 NIST
I 1652.00 NIST
I Outlier 1610.00 NIST
I 1645.00 NIST
I 1668.00 NIST
I 1645.00 NIST
I 1633.00 NIST
I 1659.00 NIST
I 1666.00 NIST
I 1660.00 NIST
I 1662.00 NIST
I 1645.00 NIST
I 1643.00 NIST
I 1655.00 NIST
I 1669.00 NIST
I 1669.00 NIST
I 1658.00 NIST
I 1658.00 NIST
I 1660.00 NIST
I 1645.00 NIST
I 1670.00 NIST
I 1665.00 NIST
I 1665.00 NIST
I 1654.00 NIST
I 1634.00 NIST
I 1655.00 NIST
I 1671.00 NIST
I 1652.00 NIST
I 1665.00 NIST
I 1649.00 NIST
I 1665.00 NIST
I 1660.00 NIST
I 1654.00 NIST
I Outlier 1616.00 NIST
I 1649.00 NIST
I 1667.00 NIST
I 1671.00 NIST
I 1662.00 NIST
I 1669.00 NIST
I 1672.00 NIST
I 1671.00 NIST
I 1645.00 NIST
I 1656.00 NIST
I 1658.00 NIST
I 1664.00 NIST
I 1660.00 NIST
I 1679.00 NIST
I 1668.00 NIST
I 1645.00 NIST
I 1668.00 NIST
I 1671.00 NIST
I 1668.00 NIST
I 1645.00 NIST
I 1645.00 NIST
I 1668.00 NIST
I 1660.00 NIST
I 1669.00 NIST
I 1645.00 NIST
I 1634.00 NIST
I 1649.00 NIST
I 1672.00 NIST
Tboil 553.85 K Joback Calculated Property
Tc 736.57 K Joback Calculated Property
Tfus 263.12 K Joback Calculated Property
Vc 0.707 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [445.83; 530.86] J/mol×K [553.85; 736.57] Show Hide
Cp,gas 445.83 J/mol×K 553.85 Joback Calculated Property
Cp,gas 461.72 J/mol×K 584.30 Joback Calculated Property
Cp,gas 476.90 J/mol×K 614.76 Joback Calculated Property
Cp,gas 491.38 J/mol×K 645.21 Joback Calculated Property
Cp,gas 505.19 J/mol×K 675.66 Joback Calculated Property
Cp,gas 518.34 J/mol×K 706.11 Joback Calculated Property
Cp,gas 530.86 J/mol×K 736.57 Joback Calculated Property
ΔvapH [67.80; 68.70] kJ/mol [298.15; 418.50] Show Hide
ΔvapH 67.80 kJ/mol 298.15 Vapor p...
ΔvapH 68.70 kJ/mol 418.50 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.63] kPa [382.42; 552.94] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.41991e+01
Coefficient B-4.19673e+03
Coefficient C-8.07480e+01
Temperature range, min.382.42
Temperature range, max.552.94
Pvap 1.33 kPa 382.42 Calculated Property
Pvap 3.03 kPa 401.37 Calculated Property
Pvap 6.30 kPa 420.31 Calculated Property
Pvap 12.10 kPa 439.26 Calculated Property
Pvap 21.77 kPa 458.21 Calculated Property
Pvap 37.05 kPa 477.15 Calculated Property
Pvap 60.05 kPa 496.10 Calculated Property
Pvap 93.31 kPa 515.05 Calculated Property
Pvap 139.75 kPa 533.99 Calculated Property
Pvap 202.63 kPa 552.94 Calculated Property

Similar Compounds

3,7-Dimethyl-6-nonen-1-ol acetate. 6-Octen-1-ol, 3,7-dimethyl-, propanoate. Citronellyl isobutyrate. Butanoic acid, 3-methyl-, 3,7-dimethyl-6-octenyl ester. «beta»-Citronellol, trifluoroacetate. 2,3-Dihydro farnesyl acetate. Citronellyl butyrate. Succinic acid, di(3,7-dimethyloct-6-en-1-yl) ester. Succinic acid, 3,7-dimethyloct-6-en-1-yl ethyl ester. Succinic acid, 3,7-dimethyloct-6-en-1-yl hexyl ester. Succinic acid, 3,7-dimethyloct-6-en-1-yl pentyl ester. Succinic acid, butyl 3,7-dimethyloct-6-en-1-yl ester. Succinic acid, 3,7-dimethyloct-6-en-1-yl propyl ester. Succinic acid, 3,7-dimethyloct-6-en-1-yl isohexyl ester. 3,7-dimethyloct-6-enyl 4-methylvalerate.

Find more compounds similar to 6-Octen-1-ol, 3,7-dimethyl-, acetate.

Sources

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