Chemical Properties of Di-epi-«alpha»-cedrene (CAS 50894-66-1)

Di-epi-«alpha»-cedrene

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
InChI Key
IRAQOCYXUMOFCW-UHFFFAOYSA-N
Formula
C15H24
SMILES
CC1=CCC23CC1C(C)(C)C2CCC3C
Molecular Weight1
204.35
CAS
50894-66-1
Other Names
  • «alpha»-Funebrene
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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 [1375.00; 1427.00]   Show Hide
Inp 1398.00 NIST
Inp 1385.00 NIST
Inp 1383.00 NIST
Inp Outlier 1427.00 NIST
Inp 1394.00 NIST
Inp 1387.00 NIST
Inp 1385.00 NIST
Inp 1400.00 NIST
Inp 1405.00 NIST
Inp 1387.00 NIST
Inp 1399.00 NIST
Inp 1375.00 NIST
Inp 1382.00 NIST
Inp 1383.00 NIST
Inp 1398.00 NIST
Inp Outlier 1427.00 NIST
Inp 1405.00 NIST
I [1501.00; 1587.00]   Show Hide
I 1501.00 NIST
I 1503.00 NIST
I 1587.00 NIST
I 1587.00 NIST
I 1501.00 NIST
Tfus 277.16 K Relay (1.0) Calculated Property

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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

1H,3a,7-Methanoazulene-2,3,4,7,8,8a-hexahydro-3,6,8,8-tetramethyl, [3R«alpha»,3a«beta»,7«beta»,8a«alpha»). 2-epi-«alpha»-Funebrene. 1H-3«alpha»,7-Methanoazulene,2,3,4,7,8,8«alpha»-hexahydro-3,6,8,8-tetramethyl. «alpha»-Funebrene. 2-epi-«alpha»-Funebrene. 7-epi-«alpha»-Cedrene. 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»)]-. 1,7-di-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.

Find more compounds similar to Di-epi-«alpha»-cedrene.

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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