Chemical Properties of «beta»-Copaene (CAS 18252-44-3)

«beta»-Copaene

InChI
InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12?,13?,14+,15+/m1/s1
InChI Key
UPVZPMJSRSWJHQ-UWMJVVDFSA-N
Formula
C15H24
SMILES
C=C1CCC2C3C(C(C)C)CCC2(C)C13
Molecular Weight1
204.35
CAS
18252-44-3
Other Names
  • Tricyclo[4.4.0.0(2,7)]decane, 1-methyl-3-methylene-8-(1-methylethyl)-, stereoisomer
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Physical Properties

Property Value Unit Source
ΔfusH° 18.07 kJ/mol Joback Calculated Property
logPoct/wat 4.271 Crippen Calculated Property
McVol 185.330 ml/mol McGowan Calculated Property
Inp [1388.00; 1473.00]   Show Hide
Inp 1422.50 NIST
Inp 1430.00 NIST
Inp 1437.00 NIST
Inp 1428.00 NIST
Inp 1432.00 NIST
Inp 1433.00 NIST
Inp 1430.00 NIST
Inp 1428.00 NIST
Inp 1437.00 NIST
Inp 1428.00 NIST
Inp 1428.00 NIST
Inp Outlier 1402.00 NIST
Inp 1447.10 NIST
Inp Outlier 1460.00 NIST
Inp 1428.00 NIST
Inp 1444.00 NIST
Inp 1426.00 NIST
Inp 1418.00 NIST
Inp 1428.00 NIST
Inp 1421.00 NIST
Inp 1420.00 NIST
Inp 1430.00 NIST
Inp 1432.00 NIST
Inp 1432.00 NIST
Inp 1431.00 NIST
Inp 1426.00 NIST
Inp 1422.00 NIST
Inp 1430.00 NIST
Inp 1432.00 NIST
Inp 1427.00 NIST
Inp 1444.00 NIST
Inp 1446.00 NIST
Inp 1445.00 NIST
Inp 1436.90 NIST
Inp 1450.00 NIST
Inp 1432.00 NIST
Inp 1433.00 NIST
Inp 1432.00 NIST
Inp 1422.00 NIST
Inp 1422.00 NIST
Inp 1422.00 NIST
Inp 1437.00 NIST
Inp 1425.00 NIST
Inp 1430.00 NIST
Inp 1424.00 NIST
Inp 1435.00 NIST
Inp 1432.00 NIST
Inp 1424.00 NIST
Inp 1426.00 NIST
Inp 1433.00 NIST
Inp 1422.00 NIST
Inp 1435.00 NIST
Inp 1426.00 NIST
Inp 1448.00 NIST
Inp 1429.00 NIST
Inp 1430.00 NIST
Inp 1427.00 NIST
Inp 1435.00 NIST
Inp 1434.00 NIST
Inp 1437.00 NIST
Inp 1426.00 NIST
Inp Outlier 1388.00 NIST
Inp Outlier 1400.00 NIST
Inp 1446.00 NIST
Inp 1429.00 NIST
Inp 1429.00 NIST
Inp 1428.00 NIST
Inp 1427.00 NIST
Inp 1428.00 NIST
Inp 1437.00 NIST
Inp 1430.00 NIST
Inp 1422.00 NIST
Inp 1440.00 NIST
Inp 1432.00 NIST
Inp 1408.00 NIST
Inp 1412.00 NIST
Inp 1408.00 NIST
Inp 1432.00 NIST
Inp 1414.00 NIST
Inp 1424.00 NIST
Inp 1416.00 NIST
Inp 1430.00 NIST
Inp Outlier 1390.00 NIST
Inp 1432.00 NIST
Inp Outlier 1402.00 NIST
Inp 1431.00 NIST
Inp 1438.00 NIST
Inp 1442.00 NIST
Inp 1433.00 NIST
Inp 1424.00 NIST
Inp 1423.00 NIST
Inp 1418.00 NIST
Inp 1418.00 NIST
Inp 1432.00 NIST
Inp 1421.00 NIST
Inp 1426.00 NIST
Inp 1431.00 NIST
Inp 1432.00 NIST
Inp 1426.00 NIST
Inp Outlier 1473.00 NIST
Inp 1431.00 NIST
Inp 1432.00 NIST
Inp 1432.00 NIST
Inp Outlier 1459.00 NIST
Inp 1432.00 NIST
Inp 1432.00 NIST
Inp 1432.00 NIST
Inp 1428.00 NIST
Inp 1430.00 NIST
Inp 1432.00 NIST
Inp 1432.00 NIST
Inp 1445.00 NIST
Inp 1435.00 NIST
Inp 1418.00 NIST
Inp 1445.00 NIST
Inp 1446.00 NIST
Inp 1424.00 NIST
Inp 1445.00 NIST
Inp Outlier 1460.00 NIST
Ip [1542.00; 1631.00]   Show Hide
Ip 1598.00 NIST
Ip 1585.00 NIST
Ip 1580.00 NIST
Ip 1565.00 NIST
Ip 1585.00 NIST
Ip 1580.00 NIST
Ip 1585.00 NIST
Ip 1581.00 NIST
Ip Outlier 1631.00 NIST
Ip Outlier 1631.00 NIST
Ip 1565.00 NIST
Ip 1585.00 NIST
Ip 1585.00 NIST
Ip 1587.00 NIST
Ip 1589.00 NIST
Ip 1562.00 NIST
Ip 1587.00 NIST
Ip 1580.00 NIST
Ip Outlier 1542.00 NIST
Ip 1628.00 NIST
Ip 1552.00 NIST
Ip 1588.00 NIST
Ip 1567.00 NIST
Ip 1550.00 NIST
Ip 1597.00 NIST
Ip 1597.00 NIST
Ip 1597.00 NIST
Ip 1603.00 NIST
Ip 1595.00 NIST
Ip 1597.00 NIST
Ip 1597.00 NIST
Ip 1597.00 NIST
Ip 1626.00 NIST
Ip 1567.00 NIST
Ip 1590.00 NIST
Ip 1626.00 NIST
Ip 1585.00 NIST
Ip 1598.00 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [245.26; 723.46] 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-1.84100e+02
Coefficient B1.99926e+00
Coefficient C-1.73900e-03
Coefficient D6.47300e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 245.26 J/mol×K 273.00 Calculated Property
Cp,gas 334.20 J/mol×K 353.78 Calculated Property
Cp,gas 409.42 J/mol×K 434.56 Calculated Property
Cp,gas 472.95 J/mol×K 515.33 Calculated Property
Cp,gas 526.85 J/mol×K 596.11 Calculated Property
Cp,gas 573.16 J/mol×K 676.89 Calculated Property
Cp,gas 613.92 J/mol×K 757.67 Calculated Property
Cp,gas 651.20 J/mol×K 838.44 Calculated Property
Cp,gas 687.03 J/mol×K 919.22 Calculated Property
Cp,gas 723.46 J/mol×K 1000.00 Calculated Property

Similar Compounds

Tricyclo[4.4.0.0(2,7)]decane, 1-methyl-3-methylene-8-(1-methylethyl)-, stereoisomer. «beta»-Longipinene. Dihydroisocaryophyllene. «beta»-Pinene. Bicyclo[3.1.1]heptane, 6,6-dimethyl-2-methylene-, (1S)-. (-)-«beta»-Bourbonene. Bourbonene. 1,2,3a,3b'a,4,5,6,6aa',6ba'-Decahydro-1a'-isopropyl-3aa'-methyl-6-methylenecyclobuta[1,2:3,4]dicyclopentene. (E)-«beta»-Bourbonene. 1,5-di-epi-«beta»-Bourbonene. 10,10-Dimethyl-2,6-dimethylenebicyclo[7.2.0]undecane. (+)(-)-(E)-«beta»-caryophyllene. «beta»-Copaene. (4aS,5S,8aS)-5-Isopentyl-1,1,4a-trimethyl-6-methylenedecahydronaphthalene. Bourbon-11-ene.

Find more compounds similar to «beta»-Copaene.

Sources

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