Chemical Properties of (3R,3aR,3bR,4S,7R,7aR)-4-Isopropyl-3,7-dimethyloctahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzen-3-ol (CAS 38230-60-3)

(3R,3aR,3bR,4S,7R,7aR)-4-Isopropyl-3,7-dimethyloctahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzen-3-ol

InChI
InChI=1S/C15H26O/c1-9(2)11-6-5-10(3)15-8-7-14(4,16)13(15)12(11)15/h9-13,16H,5-8H2,1-4H3
InChI Key
KONGRWVLXLWGDV-UHFFFAOYSA-N
Formula
C15H26O
SMILES
CC(C)C1CCC(C)C23CCC(C)(O)C2C13
Molecular Weight1
222.37
CAS
38230-60-3
Other Names
  • Epicubebol
  • Cubebol, epi
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
Δfus 18.09 kJ/mol Joback Calculated Property
logPoct/wat 3.466 Crippen Calculated Property
McVol 195.500 ml/mol McGowan Calculated Property
Inp [1451.00; 1517.00]   Show Hide
Inp 1494.00 NIST
Inp 1493.00 NIST
Inp 1488.00 NIST
Inp 1492.00 NIST
Inp 1493.00 NIST
Inp 1493.00 NIST
Inp 1496.00 NIST
Inp 1492.00 NIST
Inp 1493.00 NIST
Inp Outlier 1517.00 NIST
Inp 1494.00 NIST
Inp Outlier 1453.00 NIST
Inp 1495.00 NIST
Inp 1496.00 NIST
Inp 1482.00 NIST
Inp Outlier 1462.00 NIST
Inp 1485.00 NIST
Inp 1492.00 NIST
Inp 1494.00 NIST
Inp 1504.00 NIST
Inp 1500.00 NIST
Inp 1494.00 NIST
Inp 1489.00 NIST
Inp 1493.00 NIST
Inp 1498.00 NIST
Inp 1495.00 NIST
Inp Outlier 1451.00 NIST
Inp 1489.00 NIST
Inp 1482.00 NIST
Inp 1488.00 NIST
Inp 1488.00 NIST
Inp 1493.00 NIST
Inp 1487.00 NIST
Inp 1494.00 NIST
Inp Outlier 1459.00 NIST
Inp 1488.00 NIST
Inp 1492.00 NIST
Inp 1499.00 NIST
Inp 1490.00 NIST
Inp 1484.00 NIST
Inp 1491.00 NIST
Inp 1487.00 NIST
Inp 1471.00 NIST
Inp 1494.00 NIST
Inp 1492.00 NIST
Inp 1500.00 NIST
Inp 1493.00 NIST
Inp 1494.00 NIST
Inp 1494.00 NIST
Inp 1491.00 NIST
Inp 1493.00 NIST
Inp 1494.00 NIST
Inp 1493.00 NIST
Inp 1504.00 NIST
Inp 1498.00 NIST
Inp 1488.00 NIST
Inp Outlier 1459.00 NIST
Inp 1484.00 NIST
Inp 1492.00 NIST
I [1863.00; 1928.00]   Show Hide
I Outlier 1928.00 NIST
I 1890.00 NIST
I Outlier 1863.00 NIST
I 1900.00 NIST
I 1900.00 NIST
I 1900.00 NIST
I 1895.00 NIST
I 1916.00 NIST
I 1900.00 NIST
I 1900.00 NIST
I 1900.00 NIST
I 1900.00 NIST
I 1900.00 NIST
I 1900.00 NIST
I 1900.00 NIST
I 1900.00 NIST
I 1900.00 NIST
I 1900.00 NIST
I 1900.00 NIST
I 1900.00 NIST
I 1900.00 NIST
I 1900.00 NIST
I 1900.00 NIST
I 1900.00 NIST
I 1900.00 NIST
I 1900.00 NIST
I 1900.00 NIST
I 1900.00 NIST
I 1900.00 NIST
I 1900.00 NIST
I 1900.00 NIST
I 1900.00 NIST
I 1900.00 NIST
I 1900.00 NIST
I 1900.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [597.03; 705.46] J/mol×K [645.50; 849.37] Show Hide
Cp,gas 597.03 J/mol×K 645.50 Joback Calculated Property
Cp,gas 616.60 J/mol×K 679.48 Joback Calculated Property
Cp,gas 635.28 J/mol×K 713.46 Joback Calculated Property
Cp,gas 653.27 J/mol×K 747.44 Joback Calculated Property
Cp,gas 670.82 J/mol×K 781.42 Joback Calculated Property
Cp,gas 688.14 J/mol×K 815.39 Joback Calculated Property
Cp,gas 705.46 J/mol×K 849.37 Joback Calculated Property

Similar Compounds

1-epi-Cubebol. (3S,3aR,3bR,4S,7R,7aR)-4-Isopropyl-3,7-dimethyloctahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzen-3-ol. epi-Cubebol. trans-Cubebol. 4-epi-Cubebol. Bicyclo[3.1.0]hexan-2-ol, 2-methyl-5-(1-methylethyl)-, (1«alpha»,2«alpha»,5«alpha»)-. trans-Sabinenehydrate. Bicyclo[3.1.0]hexan-2-ol, 2-methyl-5-(1-methylethyl)-, (1«alpha»,2«beta»,5«alpha»)-. Bicyclo[3.1.0]hexan-2-ol, 2-methyl-5-(1-methylethyl)-. sabinene hydrate isomer. trans-4-Thujanol. (-)-4-epi-Maaliol. Maaliol. (-)-Globulol. Globulol.

Find more compounds similar to (3R,3aR,3bR,4S,7R,7aR)-4-Isopropyl-3,7-dimethyloctahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzen-3-ol.

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.
These property values are available through the Cheméo API. A free account gives you an access key.