Chemical Properties of «beta»-Copaene

«beta»-Copaene

InChI
InChI=1S/C14H22/c1-8(2)10-6-7-11-12-5-4-9(3)13(11)14(10)12/h8,10-14H,3-7H2,1-2H3/t10-,11+,12?,13?,14-/m1/s1
InChI Key
VKJUEEOKBBSEPM-XPXVYLNCSA-N
Formula
C14H22
SMILES
C=C1CCC2C3CCC(C(C)C)C2C13
Molecular Weight1
190.32
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Physical Properties

Property Value Unit Source
ΔfusH° 21.78 kJ/mol Joback Calculated Property
logPoct/wat 3.881 Crippen Calculated Property
McVol 171.240 ml/mol McGowan Calculated Property
Inp [1400.00; 1462.00]   Show Hide
Inp 1430.00 NIST
Inp 1430.00 NIST
Inp 1431.00 NIST
Inp 1430.00 NIST
Inp 1432.00 NIST
Inp 1430.00 NIST
Inp 1439.00 NIST
Inp 1426.00 NIST
Inp 1449.00 NIST
Inp 1432.00 NIST
Inp 1441.00 NIST
Inp 1426.00 NIST
Inp 1430.00 NIST
Inp 1430.00 NIST
Inp 1427.00 NIST
Inp 1432.00 NIST
Inp 1429.00 NIST
Inp Outlier 1400.00 NIST
Inp 1432.00 NIST
Inp 1422.00 NIST
Inp 1422.00 NIST
Inp 1428.00 NIST
Inp 1432.00 NIST
Inp 1432.00 NIST
Inp 1432.00 NIST
Inp Outlier 1462.00 NIST
Inp 1426.00 NIST
Inp 1429.00 NIST
Inp 1428.00 NIST
Inp 1430.00 NIST
Inp 1441.00 NIST
Ip [1579.00; 1589.00]   Show Hide
Ip 1579.00 NIST
Ip 1582.00 NIST
Ip 1589.00 NIST
Ip 1579.00 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [227.98; 664.54] 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-1.33200e+02
Coefficient B1.61234e+00
Coefficient C-1.15200e-03
Coefficient D3.37400e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 227.98 J/mol×K 273.00 Calculated Property
Cp,gas 307.97 J/mol×K 353.78 Calculated Property
Cp,gas 377.60 J/mol×K 434.56 Calculated Property
Cp,gas 437.93 J/mol×K 515.33 Calculated Property
Cp,gas 490.04 J/mol×K 596.11 Calculated Property
Cp,gas 534.99 J/mol×K 676.89 Calculated Property
Cp,gas 573.85 J/mol×K 757.67 Calculated Property
Cp,gas 607.68 J/mol×K 838.44 Calculated Property
Cp,gas 637.56 J/mol×K 919.22 Calculated Property
Cp,gas 664.54 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0010454; 0.0017019] Pa×s [288.04; 519.04] Joback Predicted correlation Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-5.76824e+00
Coefficient B-3.15450e+02
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
CommentLiquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.288.04
Temperature range, max.519.04
η 0.0010454 Pa×s 288.04 Calculated Property
η 0.0011433 Pa×s 313.71 Calculated Property
η 0.0012337 Pa×s 339.37 Calculated Property
η 0.0013170 Pa×s 365.04 Calculated Property
η 0.0013939 Pa×s 390.70 Calculated Property
η 0.0014651 Pa×s 416.37 Calculated Property
η 0.0015309 Pa×s 442.04 Calculated Property
η 0.0015921 Pa×s 467.70 Calculated Property
η 0.0016489 Pa×s 493.37 Calculated Property
η 0.0017019 Pa×s 519.04 Calculated Property

Similar Compounds

Dihydroisocaryophyllene. «beta»-Copaene. Tricyclo[4.4.0.0(2,7)]decane, 1-methyl-3-methylene-8-(1-methylethyl)-, stereoisomer. «beta»-Longipinene. Naphthalene, decahydro-1,6-bis(methylene)-4-(1-methylethyl)-, (4«alpha»,4a«alpha»,8a«alpha»)-. «epsilon»-Bulgarene. (+)(-)-(E)-«beta»-caryophyllene. 10,10-Dimethyl-2,6-dimethylenebicyclo[7.2.0]undecane. (-)-«beta»-Bourbonene. 1,5-di-epi-«beta»-Bourbonene. 1,2,3a,3b'a,4,5,6,6aa',6ba'-Decahydro-1a'-isopropyl-3aa'-methyl-6-methylenecyclobuta[1,2:3,4]dicyclopentene. Bourbonene. (E)-«beta»-Bourbonene. Bicyclo[5.3.0]decane, 2-methylene-5-(1-methylvinyl)-8-methyl-. 1,2,4-Ethanylylidene-1H-cyclobuta[cd]pentalene,octahydro-5-methyl-7-methylene,(1α,1aβ,2α,3aβ,4α,5α,5aβ,5bβ)-.

Find more compounds similar to «beta»-Copaene.

Sources

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