Chemical Properties of «alpha»-Cadinol (CAS 481-34-5)

«alpha»-Cadinol

InChI
InChI=1S/C15H26O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h9-10,12-14,16H,5-8H2,1-4H3/t12-,13-,14+,15+/m0/s1
InChI Key
LHYHMMRYTDARSZ-BYNSBNAKSA-N
Formula
C15H26O
SMILES
CC1=C[C@@H]2[C@@H](CC1)[C@](C)(O)CC[C@H]2C(C)C
Molecular Weight1
222.37
CAS
481-34-5
Other Names
  • (1R,4S,4aR,8aR)-4-Isopropyl-1,6-dimethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-ol
  • 1-Naphthalenol, 1,2,3,4,4a,7,8,8a-octahydro-1,6-dimethyl-4-(1-methylethyl)-, (1R,4S,4aR,8aR)-
  • 1-Naphthalenol, 1,2,3,4,4a,7,8,8a-octahydro-1,6-dimethyl-4-(1-methylethyl)-, [1R-(1«alpha»,4«beta»,4a«beta»,8a«alpha»)]-
  • Cadin-4-en-10-ol
  • (-)-«alpha»-Cadinol
  • l-«alpha»-Cadinol
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Physical Properties

Property Value Unit Source
ΔfH°gas -219.94 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 19.72 kJ/mol Joback Calculated Property
ΔvapH° 73.24 kJ/mol Relay (1.0) Calculated Property
IE 8.56 eV Relay (1.0) Calculated Property
logPoct/wat 3.776 Crippen Calculated Property
McVol 202.060 ml/mol McGowan Calculated Property
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Tboil 558.56 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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 [266.10; 765.30] 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-1.44140e+02
Coefficient B1.85558e+00
Coefficient C-1.42264e-03
Coefficient D4.76500e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 266.10 J/mol×K 273.00 Calculated Property
Cp,gas 355.37 J/mol×K 353.78 Calculated Property
Cp,gas 432.67 J/mol×K 434.56 Calculated Property
Cp,gas 499.51 J/mol×K 515.33 Calculated Property
Cp,gas 557.39 J/mol×K 596.11 Calculated Property
Cp,gas 607.84 J/mol×K 676.89 Calculated Property
Cp,gas 652.34 J/mol×K 757.67 Calculated Property
Cp,gas 692.42 J/mol×K 838.44 Calculated Property
Cp,gas 729.57 J/mol×K 919.22 Calculated Property
Cp,gas 765.30 J/mol×K 1000.00 Calculated Property

Similar Compounds

«beta»-Cadin-4-en-10-ol. 1-Naphthalenol, 1,2,3,4,4a,7,8,8a-octahydro-1,6-dimethyl-4-(1-methylethyl)-, [1R-(1«alpha»,4«beta»,4a«beta»,8a«beta»)]-. amorph-4-en-10«beta»-ol. 1-Muurolol (?). Amorph-4-en-10-ol. Pilgerol. amorph-4-en-10«alpha»-ol. «tau»-Cadinol. trans-Cadinol. 10-epi- «alpha»-cadinol. «alpha»-Cadinol, isomer 1. «tau»-Muurolol. E-Muurolol. 10-epi-«alpha»-Muurolol. «alpha»-Cadinol, isomer 2.

Find more compounds similar to «alpha»-Cadinol.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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.
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