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»)]-

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
ΔfusH° 14.60 kJ/mol Joback Calculated Property
ΔvapH° 72.20 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 1.969 Crippen Calculated Property
McVol 131.610 ml/mol McGowan 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 1154.00 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 1120.00 NIST
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Inp 1125.00 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 1106.00 NIST
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Inp Outlier 1106.00 NIST
Inp 1146.00 NIST
Inp Outlier 1169.00 NIST
Inp 1141.00 NIST
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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
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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
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Inp 1134.00 NIST
Inp 1129.00 NIST
Inp 1139.00 NIST
Inp Outlier 1106.00 NIST
Inp Outlier 1106.00 NIST
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Ip [1615.00; 1678.00]   Show Hide
Ip 1666.00 NIST
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Ip Outlier 1629.00 NIST
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Ip Outlier 1615.00 NIST
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Ip Outlier 1615.00 NIST
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Ip 1666.00 NIST
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Ip 1657.00 NIST
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Ip 1651.00 NIST
Ip Outlier 1615.00 NIST
Ip 1671.00 NIST
Ip 1664.00 NIST
Ip 1666.00 NIST
Tboil 485.00 K Relay (1.0) Calculated Property
Tfus 348.97 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, Ionization energy, Log10 of Water solubility in mol/l 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [175.45; 503.90] 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-1.22340e+02
Coefficient B1.40144e+00
Coefficient C-1.27400e-03
Coefficient D4.98800e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 175.45 J/mol×K 273.00 Calculated Property
Cp,gas 236.09 J/mol×K 353.78 Calculated Property
Cp,gas 287.02 J/mol×K 434.56 Calculated Property
Cp,gas 329.80 J/mol×K 515.33 Calculated Property
Cp,gas 366.02 J/mol×K 596.11 Calculated Property
Cp,gas 397.26 J/mol×K 676.89 Calculated Property
Cp,gas 425.08 J/mol×K 757.67 Calculated Property
Cp,gas 451.08 J/mol×K 838.44 Calculated Property
Cp,gas 476.83 J/mol×K 919.22 Calculated Property
Cp,gas 503.90 J/mol×K 1000.00 Calculated Property

Similar Compounds

(E)-Pinocarveol. trans-Isopinocarveol. Bicyclo[3.1.1]heptan-3-ol, 6,6-dimethyl-2-methylene-. Isopinocarveol. (-)-4-epi-Marsupellol. (E)-Longipinocarveol. 4-epi-Marsupellol. «beta»-Copaen-4-«alpha»-ol. «beta»-Copaen-4-ol. «alpha»-Copaen-4-ol. 6,6-Dimethyl-2-methylenebicyclo[3.2.0]heptan-3-ol. 11,11-Dimethyl-4,8-dimethylenebicyclo[7.2.0]undecan-3-ol. LONGIPINOCARVEOL, TRANS-. Caryophylla-3(15),7(14)-dien-6.alpha.-ol. Isocyperol.

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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