Chemical Properties of «alpha»-Copaene (CAS 3856-25-5)

«alpha»-Copaene

InChI
InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3
InChI Key
VLXDPFLIRFYIME-UHFFFAOYSA-N
Formula
C15H24
SMILES
CC1=CCC2C3C(C(C)C)CCC2(C)C13
Molecular Weight1
204.35
CAS
3856-25-5
Other Names
  • Copaene
  • Tricyclo[4.4.0.02,7]dec-3-ene, 1,3-dimethyl-8-(1-methylethyl)-, stereoisomer
  • Tricyclo[4.4.0.02,7]dec-3-ene, 8-isopropyl-1,3-dimethyl-, (1R,2S,6S,7S,8S)-(-)-
  • (-)-«alpha»-Copaene
  • Copaen
  • Tricyclo[4.4.0.0(2,7)]dec-3-ene, 1,3-dimethyl-8-(1-methylethyl)-, st
  • Aglaiene
  • Tricyclo[4.4.0.0(2,7)]dec-3-ene, 8-isopropyl-1,3-dimethyl-
  • Tricyclo[4.4.0.0(2,7)]dec-3-ene, 8-isopropyl-1,3-dimethyl-, (1R,2S,6S,7S,8S)-
  • 8-isopropyl-1,3-dimethyltricyclo[4.4.0.02,7]dec-3-ene
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Physical Properties

Property Value Unit Source
ΔfusH° 20.07 kJ/mol Joback Calculated Property
logPoct/wat 4.271 Crippen Calculated Property
McVol 185.330 ml/mol McGowan Calculated Property
Inp [1334.00; 1419.00]   Show Hide
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Inp Outlier 1418.00 NIST
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Inp Outlier 1403.00 NIST
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Inp Outlier 1402.00 NIST
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Inp Outlier 1401.00 NIST
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Inp Outlier 1398.00 NIST
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Inp Outlier 1406.00 NIST
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Inp Outlier 1403.00 NIST
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Inp Outlier 1397.00 NIST
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Inp Outlier 1354.00 NIST
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Ip [1450.00; 1537.00]   Show Hide
Ip Outlier 1537.00 NIST
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Ip Outlier 1450.00 NIST
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Ip Outlier 1536.00 NIST
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Ip Outlier 1535.00 NIST
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Ip Outlier 1536.00 NIST
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Ip Outlier 1531.00 NIST
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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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [244.83; 721.03] 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-1.84310e+02
Coefficient B2.00128e+00
Coefficient C-1.75164e-03
Coefficient D6.55700e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 244.83 J/mol×K 273.00 Calculated Property
Cp,gas 333.50 J/mol×K 353.78 Calculated Property
Cp,gas 408.39 J/mol×K 434.56 Calculated Property
Cp,gas 471.57 J/mol×K 515.33 Calculated Property
Cp,gas 525.13 J/mol×K 596.11 Calculated Property
Cp,gas 571.13 J/mol×K 676.89 Calculated Property
Cp,gas 611.64 J/mol×K 757.67 Calculated Property
Cp,gas 648.75 J/mol×K 838.44 Calculated Property
Cp,gas 684.52 J/mol×K 919.22 Calculated Property
Cp,gas 721.03 J/mol×K 1000.00 Calculated Property

Similar Compounds

trans-«alpha»-Copaene. Ylangene. Longipinene. Tricyclo[5.4.0.0(2,8)]undec-9-ene, 2,6,6,9-tetramethyl-, (1R,2S,7R,8R)-. Tricyclo[5.4.0.0^2^,^8]undec-9-ene, 2,6,6,9-tetramethyl-. cis-«alpha»-Bergamotene. trans-«alpha»-Bergamotene. «alpha»-trans-«beta»-Bergamotene. Bicyclo[3.1.1]hept-2-ene, 2,6-dimethyl-6-(4-methyl-3-pentenyl)-. (Z)-trans-«alpha»-bergamotene. «alpha»-cis-Bergamotene. trans-«alpha»-bergaptene. (1R,4aR,8aR)-2,5,5,8a-Tetramethyl-4,5,6,7,8,8a-hexahydro-1H-1,4a-methanonaphthalene, rel-. (1S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene. «alpha»-Pinene.

Find more compounds similar to «alpha»-Copaene.

Sources

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