Chemical Properties of Carotol (CAS 465-28-1)

Carotol

InChI
InChI=1S/C15H26O/c1-11(2)13-7-9-14(4)8-5-12(3)6-10-15(13,14)16/h5,11,13,16H,6-10H2,1-4H3/t13-,14+,15+/m1/s1
InChI Key
XZYQCFABZDVOPN-ILXRZTDVSA-N
Formula
C15H26O
SMILES
CC1=CCC2(C)CCC(C(C)C)C2(O)CC1
Molecular Weight1
222.37
CAS
465-28-1
Other Names
  • 3a(1H)-Azulenol, 2,3,4,5,8,8a-hexahydro-6,8a-dimethyl-3-(1-methylethyl)-, [3R-(3«alpha»,3a«alpha»,8a«alpha»)]-
  • 3a«alpha»(1H)-Azulenol, 2,3,4,5,8,8a-hexahydro-3«alpha»-isopropyl-6,8a«alpha»-dimethyl-, (+)-
  • (+)-Carotol
  • Carotol, (+)-
  • cis-Dauc-8-en-5«beta»-ol
  • cis-Dauc-8-en-5«beta»-ol (Carotol)
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Physical Properties

Property Value Unit Source
ΔfusH° 12.35 kJ/mol Joback Calculated Property
ΔvapH° 79.23 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 3.920 Crippen Calculated Property
McVol 202.060 ml/mol McGowan Calculated Property
Inp [1552.00; 1614.00]   Show Hide
Inp 1598.00 NIST
Inp 1597.00 NIST
Inp 1603.00 NIST
Inp 1594.00 NIST
Inp 1598.00 NIST
Inp 1594.00 NIST
Inp 1594.00 NIST
Inp 1596.00 NIST
Inp 1594.00 NIST
Inp 1612.30 NIST
Inp 1594.00 NIST
Inp 1604.00 NIST
Inp 1593.00 NIST
Inp 1595.00 NIST
Inp 1590.00 NIST
Inp 1590.00 NIST
Inp 1593.00 NIST
Inp 1596.00 NIST
Inp 1587.00 NIST
Inp 1587.00 NIST
Inp 1594.00 NIST
Inp 1592.00 NIST
Inp 1594.00 NIST
Inp 1574.00 NIST
Inp 1596.00 NIST
Inp 1573.00 NIST
Inp Outlier 1552.00 NIST
Inp 1591.00 NIST
Inp Outlier 1560.00 NIST
Inp 1592.00 NIST
Inp 1600.00 NIST
Inp 1600.00 NIST
Inp 1568.00 NIST
Inp 1594.00 NIST
Inp 1614.00 NIST
Inp 1595.00 NIST
Inp 1603.00 NIST
Inp 1594.00 NIST
Inp 1590.00 NIST
Inp 1573.00 NIST
Inp 1600.00 NIST
Inp 1568.00 NIST
Inp 1612.30 NIST
Inp 1597.00 NIST
Ip [2011.00; 2045.00]   Show Hide
Ip 2019.00 NIST
Ip 2011.00 NIST
Ip 2019.00 NIST
Ip 2033.00 NIST
Ip 2024.00 NIST
Ip 2045.00 NIST
Ip 2045.00 NIST
Ip 2045.00 NIST
Ip 2045.00 NIST
Ip 2026.00 NIST
Ip 2045.00 NIST
Ip 2014.00 NIST
Ip 2019.00 NIST
Ip 2011.00 NIST
Ip 2045.00 NIST
Tboil 549.57 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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 [259.91; 765.97] 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-2.00070e+02
Coefficient B2.17398e+00
Coefficient C-2.01064e-03
Coefficient D8.02700e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 259.91 J/mol×K 273.00 Calculated Property
Cp,gas 352.93 J/mol×K 353.78 Calculated Property
Cp,gas 430.83 J/mol×K 434.56 Calculated Property
Cp,gas 496.15 J/mol×K 515.33 Calculated Property
Cp,gas 551.42 J/mol×K 596.11 Calculated Property
Cp,gas 599.19 J/mol×K 676.89 Calculated Property
Cp,gas 641.99 J/mol×K 757.67 Calculated Property
Cp,gas 682.36 J/mol×K 838.44 Calculated Property
Cp,gas 722.84 J/mol×K 919.22 Calculated Property
Cp,gas 765.97 J/mol×K 1000.00 Calculated Property

Similar Compounds

trans-Dauc-8-en-4.beta.-ol. 3 «alpha»-Hydroxy-6-asteriscene. 3aH-Cyclopentacycloocten-3a-ol, 1,2,3,4,7,8,9,9a-octahydro-1,5,8,8-tetramethyl-, [1R-(1«alpha»,3a«beta»,9a«alpha»)]-. Caryophyll-5-en-2.beta.-ol. «beta»-epi-Acorenol. «alpha»-Acorenol. 10-epi-«beta»-Acorenol. «alpha»-acorenal. «beta»-acorenal. «beta»-Acorenol. Acorenol isomer. .beta.-Acorenol. Cuprenenol. 17-Ethylestr-4-en-17-ol. Eremophil-7(11)-en-10-«beta»-ol.

Find more compounds similar to Carotol.

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.
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