Chemical Properties of 1H-3a,7-Methanoazulene, 2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-, [3R-(3«alpha»,3a«beta»,7«beta»,8a«alpha»)]- (CAS 469-61-4)

1H-3a,7-Methanoazulene, 2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-, [3R-(3«alpha»,3a«beta»,7«beta»,8a«alpha»)]-

InChI
InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12+,13+,15+/m0/s1
InChI Key
IRAQOCYXUMOFCW-KYEXWDHISA-N
Formula
C15H24
SMILES
CC1=CCC23CC1C(C)(C)C2CCC3C
Molecular Weight1
204.35
CAS
469-61-4
Other Names
  • Cedr-8-ene
  • «alpha»-Cedrene
  • (-)-«alpha»-Cedrene
  • [3R-(3«alpha»,3a«beta»,7«beta»,8a«alpha»)]-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulene
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
ΔfusH° 15.19 kJ/mol Joback Calculated Property
logPoct/wat 4.415 Crippen Calculated Property
McVol 185.330 ml/mol McGowan Calculated Property
Inp [1372.00; 1444.00]   Show Hide
Inp 1433.40 NIST
Inp 1393.00 NIST
Inp 1392.30 NIST
Inp 1403.30 NIST
Inp 1393.00 NIST
Inp 1431.00 NIST
Inp 1414.00 NIST
Inp 1403.00 NIST
Inp 1408.00 NIST
Inp 1405.00 NIST
Inp 1404.00 NIST
Inp 1412.00 NIST
Inp 1411.00 NIST
Inp 1411.00 NIST
Inp 1409.00 NIST
Inp 1409.00 NIST
Inp 1409.00 NIST
Inp 1415.00 NIST
Inp 1398.00 NIST
Inp 1434.00 NIST
Inp 1414.00 NIST
Inp 1414.00 NIST
Inp 1409.00 NIST
Inp 1410.00 NIST
Inp 1408.00 NIST
Inp 1411.00 NIST
Inp Outlier 1386.00 NIST
Inp 1405.00 NIST
Inp 1411.00 NIST
Inp 1414.00 NIST
Inp 1419.00 NIST
Inp 1419.00 NIST
Inp 1415.00 NIST
Inp 1404.00 NIST
Inp 1409.00 NIST
Inp 1412.00 NIST
Inp 1412.00 NIST
Inp 1403.00 NIST
Inp 1434.00 NIST
Inp 1422.00 NIST
Inp 1409.00 NIST
Inp 1396.00 NIST
Inp 1406.00 NIST
Inp 1411.00 NIST
Inp 1415.00 NIST
Inp 1408.00 NIST
Inp 1409.00 NIST
Inp 1411.00 NIST
Inp 1414.00 NIST
Inp 1411.00 NIST
Inp 1408.00 NIST
Inp 1411.00 NIST
Inp 1409.00 NIST
Inp 1410.00 NIST
Inp 1407.00 NIST
Inp 1408.00 NIST
Inp 1408.00 NIST
Inp 1409.00 NIST
Inp 1435.00 NIST
Inp Outlier 1438.00 NIST
Inp 1409.00 NIST
Inp 1422.00 NIST
Inp 1423.00 NIST
Inp 1416.70 NIST
Inp 1413.00 NIST
Inp Outlier 1383.10 NIST
Inp 1396.90 NIST
Inp 1436.00 NIST
Inp 1421.00 NIST
Inp 1415.00 NIST
Inp 1407.00 NIST
Inp 1412.00 NIST
Inp 1410.00 NIST
Inp 1412.00 NIST
Inp 1409.00 NIST
Inp 1412.00 NIST
Inp 1436.00 NIST
Inp 1411.00 NIST
Inp 1409.00 NIST
Inp 1408.00 NIST
Inp 1413.00 NIST
Inp 1413.00 NIST
Inp 1408.00 NIST
Inp 1420.00 NIST
Inp Outlier 1438.00 NIST
Inp 1410.00 NIST
Inp 1413.00 NIST
Inp 1397.00 NIST
Inp 1414.00 NIST
Inp 1430.00 NIST
Inp 1434.00 NIST
Inp 1405.00 NIST
Inp 1389.00 NIST
Inp 1389.00 NIST
Inp 1390.00 NIST
Inp 1405.00 NIST
Inp 1412.00 NIST
Inp 1412.00 NIST
Inp 1408.00 NIST
Inp 1421.00 NIST
Inp 1409.00 NIST
Inp Outlier 1444.00 NIST
Inp 1411.00 NIST
Inp 1400.00 NIST
Inp 1397.00 NIST
Inp 1409.00 NIST
Inp 1418.00 NIST
Inp 1394.00 NIST
Inp 1408.00 NIST
Inp 1410.00 NIST
Inp 1420.00 NIST
Inp 1420.00 NIST
Inp 1420.00 NIST
Inp 1394.00 NIST
Inp 1389.00 NIST
Inp 1409.00 NIST
Inp 1393.00 NIST
Inp 1433.00 NIST
Inp 1410.00 NIST
Inp 1398.00 NIST
Inp 1420.00 NIST
Inp 1411.00 NIST
Inp 1435.00 NIST
Inp 1407.00 NIST
Inp 1409.00 NIST
Inp 1411.00 NIST
Inp 1411.00 NIST
Inp 1434.00 NIST
Inp 1435.00 NIST
Inp 1436.00 NIST
Inp 1411.00 NIST
Inp 1410.00 NIST
Inp 1419.00 NIST
Inp 1409.00 NIST
Inp 1416.00 NIST
Inp 1413.00 NIST
Inp 1411.00 NIST
Inp 1411.00 NIST
Inp Outlier 1383.00 NIST
Inp 1415.00 NIST
Inp 1410.00 NIST
Inp Outlier 1372.00 NIST
Inp 1432.00 NIST
Inp 1412.00 NIST
Inp 1411.00 NIST
Inp 1412.00 NIST
Inp Outlier 1386.00 NIST
Inp 1410.00 NIST
Inp Outlier 1383.10 NIST
Inp 1400.00 NIST
Inp 1406.00 NIST
Inp 1407.00 NIST
Inp 1410.00 NIST
Inp 1436.00 NIST
Inp 1414.00 NIST
Inp 1415.00 NIST
Inp 1409.00 NIST
Inp 1408.00 NIST
Inp Outlier 1438.00 NIST
Inp 1430.00 NIST
Inp 1390.00 NIST
Inp 1421.00 NIST
Inp 1397.00 NIST
Inp 1410.00 NIST
Inp 1389.00 NIST
Inp 1398.00 NIST
Inp 1436.00 NIST
Inp 1416.70 NIST
Ip [1542.00; 1620.00]   Show Hide
Ip 1598.00 NIST
Ip 1598.00 NIST
Ip 1574.00 NIST
Ip 1566.00 NIST
Ip 1565.00 NIST
Ip 1568.00 NIST
Ip 1570.00 NIST
Ip 1571.00 NIST
Ip 1579.00 NIST
Ip 1565.00 NIST
Ip 1562.00 NIST
Ip 1574.00 NIST
Ip 1599.00 NIST
Ip 1576.00 NIST
Ip 1600.00 NIST
Ip 1587.00 NIST
Ip 1574.00 NIST
Ip 1563.00 NIST
Ip 1608.00 NIST
Ip 1571.00 NIST
Ip 1582.00 NIST
Ip 1582.00 NIST
Ip 1572.00 NIST
Ip 1572.00 NIST
Ip 1556.00 NIST
Ip 1611.00 NIST
Ip 1600.00 NIST
Ip 1599.00 NIST
Ip 1577.00 NIST
Ip 1600.00 NIST
Ip 1582.00 NIST
Ip 1601.00 NIST
Ip 1565.00 NIST
Ip 1578.00 NIST
Ip 1578.00 NIST
Ip 1600.00 NIST
Ip 1600.00 NIST
Ip 1568.00 NIST
Ip 1562.00 NIST
Ip Outlier 1545.00 NIST
Ip 1568.00 NIST
Ip Outlier 1542.00 NIST
Ip 1577.00 NIST
Ip 1577.00 NIST
Ip Outlier 1620.00 NIST
Ip 1577.00 NIST
Ip 1577.00 NIST
Ip 1600.00 NIST
Ip 1600.00 NIST
Ip 1600.00 NIST
Ip 1587.00 NIST
Ip 1582.00 NIST
Ip 1611.00 NIST
Ip 1566.00 NIST
Ip 1579.00 NIST
Ip 1576.00 NIST
Ip 1598.00 NIST
Tfus 277.16 K Relay (1.0) Calculated Property

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 [236.33; 729.60] 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-2.37740e+02
Coefficient B2.27768e+00
Coefficient C-2.23464e-03
Coefficient D9.24300e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 236.33 J/mol×K 273.00 Calculated Property
Cp,gas 329.29 J/mol×K 353.78 Calculated Property
Cp,gas 405.90 J/mol×K 434.56 Calculated Property
Cp,gas 469.07 J/mol×K 515.33 Calculated Property
Cp,gas 521.73 J/mol×K 596.11 Calculated Property
Cp,gas 566.79 J/mol×K 676.89 Calculated Property
Cp,gas 607.19 J/mol×K 757.67 Calculated Property
Cp,gas 645.84 J/mol×K 838.44 Calculated Property
Cp,gas 685.67 J/mol×K 919.22 Calculated Property
Cp,gas 729.60 J/mol×K 1000.00 Calculated Property

Similar Compounds

2-epi-«alpha»-Funebrene. 1H-3«alpha»,7-Methanoazulene,2,3,4,7,8,8«alpha»-hexahydro-3,6,8,8-tetramethyl. Di-epi-«alpha»-cedrene. 1,7-di-epi-«alpha»-Cedrene. «alpha»-Funebrene. 1H,3a,7-Methanoazulene-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl, [3R«alpha»,3a«beta»,7«beta»,8a«alpha»). 7-epi-«alpha»-Cedrene. «alpha»-Barbatene. (3aR,4R,8R,8aS)-3a,4,7,8a-Tetramethyl-1,2,3,3a,4,5,8,8a-octahydro-4,8-methanoazulene. (4aS,5S,8aS)-5-Isopentyl-1,1,4a,6-tetramethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene. 4,4-Dimethyl, 5a-,13a-androst-8-ene. Naphthalene,1,2,3,4,4a,5,6,8a-octahydro-4a, 8-dimethyl-2-[1-methylethyl]-. undulatene. «gamma»-Cedrene. Spiro[4.5]dec-7-ene, 1,8-dimethyl-4-(1-methylethenyl)-, [1S-(1«alpha»,4«beta»,5«alpha»)]-.

Find more compounds similar to 1H-3a,7-Methanoazulene, 2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl-, [3R-(3«alpha»,3a«beta»,7«beta»,8a«alpha»)]-.

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