Chemical Properties of 1,2,4-Metheno-1H-indene, octahydro-1,7a-dimethyl-5-(1-methylethyl)-, [1S-(1«alpha»,2«alpha»,3a«beta»,4«alpha»,5«alpha»,7a«beta»,8S*)]- (CAS 22469-52-9)

1,2,4-Metheno-1H-indene, octahydro-1,7a-dimethyl-5-(1-methylethyl)-, [1S-(1«alpha»,2«alpha»,3a«beta»,4«alpha»,5«alpha»,7a«beta»,8S*)]-

InChI
InChI=1S/C15H24/c1-8(2)9-5-6-14(3)10-7-11-13(12(9)10)15(11,14)4/h8-13H,5-7H2,1-4H3
InChI Key
XBWACJDEQIZTPR-UHFFFAOYSA-N
Formula
C15H24
SMILES
CC(C)C1CCC2(C)C3CC4C(C13)C42C
Molecular Weight1
204.35
CAS
22469-52-9
Other Names
  • (+)-Cyclosativene
  • Cyclosativene
  • 1,2«alpha»,4-Methenoindan, 3a«beta»,4«beta»,5,6,7,7a-hexahydro-5«alpha»-isopropyl-1«beta»,7a«beta»-dimethyl-
  • (1S,2S,3aR,4R,5S,7aS,8R)-5-Isopropyl-1,7a-dimethyloctahydro-1H-1,2,4-(epimethanetriyl)indene
  • 1,2,4-Metheno-1H-indene, octahydro-1,7a-dimethyl-5-(1-methylethyl)-, (1S,2S,3aR,4R,5S,7aS,8R)-
  • Cycloisosativene
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Physical Properties

Property Value Unit Source
ΔfusH° 18.44 kJ/mol Joback Calculated Property
logPoct/wat 3.961 Crippen Calculated Property
McVol 178.770 ml/mol McGowan Calculated Property
Inp [1344.00; 1406.00]   Show Hide
Inp 1369.00 NIST
Inp 1370.00 NIST
Inp 1368.00 NIST
Inp Outlier 1394.00 NIST
Inp 1370.00 NIST
Inp 1364.00 NIST
Inp 1364.00 NIST
Inp 1367.00 NIST
Inp 1373.60 NIST
Inp 1368.00 NIST
Inp 1375.00 NIST
Inp 1371.00 NIST
Inp 1378.00 NIST
Inp 1377.00 NIST
Inp 1362.00 NIST
Inp 1370.00 NIST
Inp Outlier 1345.00 NIST
Inp 1377.00 NIST
Inp 1360.00 NIST
Inp 1368.00 NIST
Inp 1370.00 NIST
Inp 1370.00 NIST
Inp 1370.00 NIST
Inp 1369.00 NIST
Inp 1358.00 NIST
Inp 1371.00 NIST
Inp 1369.00 NIST
Inp 1370.00 NIST
Inp 1383.00 NIST
Inp 1357.00 NIST
Inp 1364.00 NIST
Inp 1368.00 NIST
Inp 1371.00 NIST
Inp 1360.00 NIST
Inp 1382.00 NIST
Inp 1368.00 NIST
Inp 1362.00 NIST
Inp 1364.00 NIST
Inp 1368.00 NIST
Inp 1362.00 NIST
Inp 1363.00 NIST
Inp 1370.00 NIST
Inp 1382.00 NIST
Inp 1371.00 NIST
Inp 1374.00 NIST
Inp 1358.00 NIST
Inp 1364.00 NIST
Inp 1362.00 NIST
Inp 1370.00 NIST
Inp 1361.00 NIST
Inp 1361.00 NIST
Inp 1375.00 NIST
Inp 1361.00 NIST
Inp 1366.00 NIST
Inp 1362.00 NIST
Inp 1366.00 NIST
Inp 1362.00 NIST
Inp 1365.00 NIST
Inp 1373.00 NIST
Inp 1368.00 NIST
Inp 1368.00 NIST
Inp 1364.00 NIST
Inp 1371.00 NIST
Inp 1373.00 NIST
Inp 1384.00 NIST
Inp 1370.00 NIST
Inp 1367.00 NIST
Inp 1370.00 NIST
Inp 1373.00 NIST
Inp 1367.00 NIST
Inp 1370.00 NIST
Inp 1367.00 NIST
Inp 1367.00 NIST
Inp 1380.00 NIST
Inp Outlier 1344.00 NIST
Inp 1372.00 NIST
Inp 1366.00 NIST
Inp 1369.00 NIST
Inp 1366.00 NIST
Inp 1371.00 NIST
Inp 1366.00 NIST
Inp 1370.00 NIST
Inp 1363.00 NIST
Inp 1370.00 NIST
Inp 1360.00 NIST
Inp 1370.00 NIST
Inp 1360.00 NIST
Inp 1368.00 NIST
Inp 1363.00 NIST
Inp 1370.00 NIST
Inp Outlier 1401.00 NIST
Inp Outlier 1406.00 NIST
Inp Outlier 1344.00 NIST
Inp 1371.00 NIST
Inp 1360.00 NIST
Inp 1370.00 NIST
Inp 1374.00 NIST
Inp 1361.00 NIST
Inp 1362.00 NIST
Inp 1368.00 NIST
Inp 1384.00 NIST
Inp 1367.00 NIST
I [1445.00; 1530.00]   Show Hide
I 1487.00 NIST
I 1483.00 NIST
I Outlier 1522.00 NIST
I 1473.00 NIST
I 1465.00 NIST
I 1471.00 NIST
I 1477.00 NIST
I 1477.00 NIST
I 1470.00 NIST
I 1490.00 NIST
I Outlier 1522.00 NIST
I 1492.00 NIST
I Outlier 1530.00 NIST
I 1479.00 NIST
I 1478.00 NIST
I Outlier 1445.00 NIST
I 1491.00 NIST
I 1492.00 NIST
I 1492.00 NIST
I 1492.00 NIST
I 1492.00 NIST
I 1485.00 NIST
I 1492.00 NIST
I 1492.00 NIST
I 1492.00 NIST
I 1492.00 NIST
I 1492.00 NIST
I 1490.00 NIST
I 1478.00 NIST
I 1477.00 NIST

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Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [503.57; 618.64] J/mol×K [547.05; 759.24] Show Hide
Cp,gas 503.57 J/mol×K 547.05 Joback Calculated Property
Cp,gas 526.02 J/mol×K 582.42 Joback Calculated Property
Cp,gas 546.77 J/mol×K 617.78 Joback Calculated Property
Cp,gas 566.10 J/mol×K 653.15 Joback Calculated Property
Cp,gas 584.32 J/mol×K 688.51 Joback Calculated Property
Cp,gas 601.73 J/mol×K 723.88 Joback Calculated Property
Cp,gas 618.64 J/mol×K 759.24 Joback Calculated Property

Similar Compounds

Cyclosativene. (1S,1aS,1bR,4S,5S,5aS,6aR)-1a,1b,4,5a-Tetramethyldecahydro-1,5-methanocyclopropa[a]indene. 1,2,4-Methenoazulene, decahydro-1,5,5,8a-tetramethyl-, [1S-(1«alpha»,2«alpha»,3a«beta»,4«alpha»,8a«beta»,9R*)]-. 1,2,4-Methenoazulene, decahydro-1,5,5,8a-tetramethyl-, [1S-(1a`,2a`,3aa',4a`,8aa',9R*)]-. (1R,1aR,2aS,6R,6aS,7aS)-1,6,6a-Trimethyldecahydro-1,2a-methanocyclopropa[b]naphthalene. Tricyclo[2.2.1.0(2,6)]heptane, 1,3,3-trimethyl-. Trachylobane. ent-Trachylobane. Tricyclo[2.2.1.0(2,6)]heptane, 1,7,7-trimethyl-. (+)-8,9-Didehydrocycloisolongifolene. Cycloisolongifolene. 1H-Cycloprop[e]azulene, 1a«beta»,2,3,4,4a«beta»,5,6,7b«beta»-octahydro-1,1,4«beta»,7-tetramethyl. 1H-Cycloprop[e]azulene, decahydro-1,1,4,7-tetramethyl-, [1aR-(1a«alpha»,4«beta»,4a«beta»,7«beta»,7a«beta»,7b«alpha»)]-. dihydroaromadendrene. Calarane.

Find more compounds similar to 1,2,4-Metheno-1H-indene, octahydro-1,7a-dimethyl-5-(1-methylethyl)-, [1S-(1«alpha»,2«alpha»,3a«beta»,4«alpha»,5«alpha»,7a«beta»,8S*)]-.

Sources

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