Chemical Properties of Resorcinol, 2-p-mentha-1,8-dien-3-yl-5-pentyl-, (-)-(E)- (CAS 521-37-9)

Resorcinol, 2-p-mentha-1,8-dien-3-yl-5-pentyl-, (-)-(E)-

InChI
InChI=1S/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3/t17-,18+/m1/s1
InChI Key
QHMBSVQNZZTUGM-MSOLQXFVSA-N
Formula
C21H30O2
SMILES
C=C(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O
Molecular Weight1
314.46
CAS
521-37-9
Other Names
  • (-)-trans-2-p-Mentha-1,8-dien-3-yl-5-pentylresorcinol
  • (-)-trans-Cannabidiol
  • 1,3-Benzenediol, 2-(3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl)-5-pentyl-, (1R-trans)-
  • 2-(6-Isopropenyl-3-methyl-2-cyclohexen-1-yl)-5-pentyl-1,3-benzenediol
  • CBD
  • Cannabidiol
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Physical Properties

Property Value Unit Source
ΔfusH° 46.51 kJ/mol Joback Calculated Property
logPoct/wat 5.847 Crippen Calculated Property
McVol 275.270 ml/mol McGowan Calculated Property
Inp [2365.00; 2441.30]   Show Hide
Inp Outlier 2441.30 NIST
Inp 2392.00 NIST
Inp 2366.00 NIST
Inp 2365.00 NIST
Inp 2385.00 NIST
Inp 2383.00 NIST
Inp 2383.00 NIST
Tfus 340.15 K Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization 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 [380.61; 954.62] 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-9.39160e+01
Coefficient B2.12966e+00
Coefficient C-1.56652e-03
Coefficient D4.85400e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 380.61 J/mol×K 273.00 Calculated Property
Cp,gas 484.94 J/mol×K 353.78 Calculated Property
Cp,gas 575.55 J/mol×K 434.56 Calculated Property
Cp,gas 653.98 J/mol×K 515.33 Calculated Property
Cp,gas 721.76 J/mol×K 596.11 Calculated Property
Cp,gas 780.42 J/mol×K 676.89 Calculated Property
Cp,gas 831.50 J/mol×K 757.67 Calculated Property
Cp,gas 876.54 J/mol×K 838.44 Calculated Property
Cp,gas 917.07 J/mol×K 919.22 Calculated Property
Cp,gas 954.62 J/mol×K 1000.00 Calculated Property

Similar Compounds

(-)-Cannabidiol. cannabidiolic acid, methyl-boronate. cannabidiolic acid, n-butyl-boronate. Cannabidiol di-tms derivative. cannabidiolic acid, phenyl-boronate. Cannabidiol, allyl-DMS. 11-nor-D9-Tetrahydrocannabinol-9-carboxylic acid. 1H-pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. Morphinan-6-ol, 4,5-epoxy-3-methoxy-17-methyl-, (5«alpha»,6«alpha»)-. DIHYDROMORPHINE. risperidone. Hydrocodone. Nalmefene, bis(trifluoroacetate). Hydromorphone. Acetyldihydrocodeine.

Find more compounds similar to Resorcinol, 2-p-mentha-1,8-dien-3-yl-5-pentyl-, (-)-(E)-.

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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