Chemical Properties of Bicyclo[3.1.1]heptan-3-ol, 6,6-dimethyl-2-methylene-, [1S-(1«alpha»,3«alpha»,5«alpha»)]- (CAS 547-61-5)

Bicyclo[3.1.1]heptan-3-ol, 6,6-dimethyl-2-methylene-, [1S-(1«alpha»,3«alpha»,5«alpha»)]-

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InChI
InChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h7-9,11H,1,4-5H2,2-3H3/t7?,8?,9-/m0/s1
InChI Key
LCYXQUJDODZYIJ-HACHORDNSA-N
Formula
C10H16O
SMILES
C=C1C(O)CC2CC1C2(C)C
Molecular Weight1
152.23
CAS
547-61-5
Other Names
  • (1S,3R,5S)-6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptan-3-ol
  • 2(10)-Pinen-3-ol, (1S,3R,5S)-(-)-
  • L-trans-Pinocarveol
  • L-Pinocarveol
  • trans-(-)-Pinocarveol
  • Pinocarveol, trans-(-)-
  • 6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptan-3-ol-, [1S-(1«alpha»,3«alpha»,5«alpha»)]-
  • (-)-trans-Pinocarveol
  • (E)-Pinocarveol, (-)-
  • trans-Pinocarveol
  • (E)-Pinocarveol
  • trans-Pinocarveole
  • [1S-(1«alpha»,3«alpha»,5«alpha»)]-6,6-dimethyl-2-methylenebicyclo[3.1.1]heptan-3-ol
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Physical Properties

Property Value Unit Source
ω 0.4230 Relay (... Calculated Property
Δf 38.07 kJ/mol Joback Calculated Property
Δfgas -192.08 kJ/mol Relay (... Calculated Property
Δfus 14.60 kJ/mol Joback Calculated Property
Δvap 71.18 kJ/mol Relay (... Calculated Property
IE 8.88 eV Relay (... Calculated Property
log10WS -2.26 Relay (... Calculated Property
logPoct/wat 1.969 Crippen Calculated Property
McVol 131.610 ml/mol McGowan Calculated Property
Pc 3076.16 kPa Joback Calculated Property
Inp [1100.00; 1186.00]   Show Hide
Inp 1148.00 NIST
Inp 1153.00 NIST
Inp 1159.00 NIST
Inp Outlier 1164.00 NIST
Inp Outlier 1170.00 NIST
Inp Outlier 1176.00 NIST
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Inp Outlier 1165.00 NIST
Inp Outlier 1170.00 NIST
Inp Outlier 1176.00 NIST
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Inp 1123.00 NIST
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Inp 1126.00 NIST
Inp 1117.00 NIST
Inp 1122.00 NIST
Inp 1139.00 NIST
Inp 1139.00 NIST
Inp 1139.00 NIST
Inp 1132.00 NIST
Inp 1125.00 NIST
Inp 1132.00 NIST
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Inp 1120.00 NIST
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Inp 1145.00 NIST
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Inp 1138.00 NIST
Inp 1139.00 NIST
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Inp Outlier 1104.00 NIST
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Inp Outlier 1100.00 NIST
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Inp Outlier 1166.00 NIST
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Inp Outlier 1105.00 NIST
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Inp 1130.00 NIST
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Inp 1130.00 NIST
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Inp 1155.00 NIST
Inp 1155.00 NIST
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Inp 1118.00 NIST
Inp 1126.00 NIST
Inp 1126.00 NIST
Inp Outlier 1106.00 NIST
Inp 1120.00 NIST
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Inp 1141.00 NIST
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Inp 1139.00 NIST
Inp 1138.00 NIST
Inp 1138.00 NIST
Inp 1149.00 NIST
Inp 1139.00 NIST
Inp 1139.00 NIST
Inp 1137.00 NIST
Inp Outlier 1106.00 NIST
Inp 1146.00 NIST
Inp Outlier 1169.00 NIST
Inp 1141.00 NIST
Inp 1135.00 NIST
Inp 1137.00 NIST
Inp 1150.00 NIST
Inp 1141.00 NIST
Inp Outlier 1106.00 NIST
Inp 1130.00 NIST
Inp 1137.00 NIST
Inp 1141.00 NIST
Inp 1139.00 NIST
Inp 1136.00 NIST
Inp 1139.00 NIST
Inp 1145.00 NIST
Inp Outlier 1106.00 NIST
Inp Outlier 1186.00 NIST
Inp 1132.00 NIST
Inp Outlier 1186.00 NIST
Inp 1138.00 NIST
Inp 1137.00 NIST
Inp 1140.00 NIST
Inp 1139.00 NIST
Inp 1136.00 NIST
Inp 1139.00 NIST
Inp 1129.00 NIST
Inp 1139.00 NIST
Inp 1139.00 NIST
Inp 1139.00 NIST
Inp 1120.00 NIST
Inp 1120.00 NIST
Inp 1129.00 NIST
Inp 1139.00 NIST
Inp Outlier 1106.00 NIST
Inp 1137.00 NIST
Inp Outlier 1186.00 NIST
Inp 1139.00 NIST
Inp 1134.00 NIST
Inp 1129.00 NIST
Inp 1139.00 NIST
Inp Outlier 1106.00 NIST
Inp Outlier 1106.00 NIST
Inp 1128.00 NIST
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Inp Outlier 1106.00 NIST
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Inp 1128.00 NIST
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Inp Outlier 1106.00 NIST
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I [1615.00; 1678.00]   Show Hide
I 1666.00 NIST
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I 1644.00 NIST
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I 1658.00 NIST
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I Outlier 1629.00 NIST
I 1659.00 NIST
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I Outlier 1633.00 NIST
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I 1640.00 NIST
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I Outlier 1632.00 NIST
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I 1663.00 NIST
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I 1676.00 NIST
I 1648.00 NIST
I Outlier 1615.00 NIST
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I 1675.00 NIST
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I 1670.00 NIST
I 1670.00 NIST
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I Outlier 1615.00 NIST
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I 1666.00 NIST
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I 1674.00 NIST
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I 1642.00 NIST
I 1657.00 NIST
I 1654.00 NIST
I 1651.00 NIST
I Outlier 1615.00 NIST
I 1671.00 NIST
I 1664.00 NIST
Tboil 485.00 K Relay (... Calculated Property
Tc 742.46 K Relay (... Calculated Property
Tfus 355.41 K Relay (... Calculated Property
Vc 0.438 m3/kmol Relay (... Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [335.96; 413.48] J/mol×K [528.19; 723.06] Show Hide
Cp,gas 335.96 J/mol×K 528.19 Joback Calculated Property
Cp,gas 350.83 J/mol×K 560.67 Joback Calculated Property
Cp,gas 364.79 J/mol×K 593.15 Joback Calculated Property
Cp,gas 377.93 J/mol×K 625.63 Joback Calculated Property
Cp,gas 390.35 J/mol×K 658.11 Joback Calculated Property
Cp,gas 402.17 J/mol×K 690.59 Joback Calculated Property
Cp,gas 413.48 J/mol×K 723.06 Joback Calculated Property

Similar Compounds

Bicyclo[3.1.1]heptan-3-ol, 6,6-dimethyl-2-methylene-. trans-Isopinocarveol. Isopinocarveol. (E)-Pinocarveol. Pinocarveol, cis. cis-Pinocarveol. (E)-Longipinocarveol. (-)-4-epi-Marsupellol. 4-epi-Marsupellol. .«beta»-Copaen-4-«alpha»-ol. «alpha»-Copaen-4-ol. «beta»-Copaen-4-ol. «beta»-Copaen-4-«alpha»-ol. 6,6-Dimethyl-2-methylenebicyclo[3.2.0]heptan-3-ol. 11,11-Dimethyl-4,8-dimethylenebicyclo[7.2.0]undecan-3-ol.

Find more compounds similar to Bicyclo[3.1.1]heptan-3-ol, 6,6-dimethyl-2-methylene-, [1S-(1«alpha»,3«alpha»,5«alpha»)]-.

Sources

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