Chemical Properties of Italicene (CAS 94535-52-1)

Italicene

InChI
InChI=1S/C15H24/c1-10-7-8-15-11(2)5-6-12(15)14(3,4)13(15)9-10/h9,11-13H,5-8H2,1-4H3/t11-,12+,13?,15+/m1/s1
InChI Key
BWAXOYJGXIEEOE-VSUHMYSYSA-N
Formula
C15H24
SMILES
CC1=CC2C(C)(C)C3CCC(C)C23CC1
Molecular Weight1
204.35
CAS
94535-52-1
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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 [1397.00; 1439.00]   Show Hide
Inp 1409.00 NIST
Inp 1403.00 NIST
Inp Outlier 1439.00 NIST
Inp 1401.00 NIST
Inp 1404.00 NIST
Inp 1403.00 NIST
Inp 1404.00 NIST
Inp 1408.00 NIST
Inp 1400.00 NIST
Inp 1407.00 NIST
Inp 1407.00 NIST
Inp 1397.00 NIST
Inp 1407.00 NIST
Inp 1414.60 NIST
Inp 1420.00 NIST
Inp 1414.00 NIST
Inp 1400.00 NIST
Inp 1415.00 NIST
Inp 1397.00 NIST
Inp 1398.00 NIST
Inp 1400.00 NIST
Inp 1402.00 NIST
Inp 1400.00 NIST
Inp 1404.00 NIST
Inp 1404.00 NIST
Inp 1403.00 NIST
Inp 1404.00 NIST
Inp 1407.00 NIST
Inp 1405.00 NIST
Inp 1402.00 NIST
Inp 1401.00 NIST
Inp 1406.00 NIST
Inp 1414.60 NIST
Inp 1404.00 NIST
Inp 1407.00 NIST
I [1489.00; 1557.00]   Show Hide
I 1543.00 NIST
I 1542.00 NIST
I 1517.00 NIST
I 1536.00 NIST
I 1536.00 NIST
I 1536.00 NIST
I 1489.00 NIST
I 1557.00 NIST
I 1489.00 NIST

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [503.55; 623.74] J/mol×K [566.64; 792.17] Show Hide
Cp,gas 503.55 J/mol×K 566.64 Joback Calculated Property
Cp,gas 526.55 J/mol×K 604.23 Joback Calculated Property
Cp,gas 547.97 J/mol×K 641.82 Joback Calculated Property
Cp,gas 568.10 J/mol×K 679.41 Joback Calculated Property
Cp,gas 587.25 J/mol×K 716.99 Joback Calculated Property
Cp,gas 605.70 J/mol×K 754.58 Joback Calculated Property
Cp,gas 623.74 J/mol×K 792.17 Joback Calculated Property

Similar Compounds

italicene (2,11-cycloacor-3-ene). 10-epi-Italicene. Isoitalicene. 1-Methyl-4-(1-methylethyl)-3-[1-methyl-1-(4-methylpentyl)-5-methylheptyl]cyclohexene. Italicen-15-al (2,11-cycloacor-3-en-15-al). Longipinene. Tricyclo[5.4.0.0^2^,^8]undec-9-ene, 2,6,6,9-tetramethyl-. Tricyclo[5.4.0.0(2,8)]undec-9-ene, 2,6,6,9-tetramethyl-, (1R,2S,7R,8R)-. (E)-Longipinene. (1R,4aR,8aR)-2,5,5,8a-Tetramethyl-4,5,6,7,8,8a-hexahydro-1H-1,4a-methanonaphthalene, rel-. «alpha»-Copaene. Ylangene. trans-«alpha»-Copaene. «alpha»-(E)-Bergamotene. cis-«alpha»-Bergamotene.

Find more compounds similar to Italicene.

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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