Chemical Properties of (-)-Aristolene (CAS 6831-16-9)

(-)-Aristolene

InChI
InChI=1S/C15H24/c1-10-6-5-7-11-8-9-12-13(14(12,2)3)15(10,11)4/h8,10,12-13H,5-7,9H2,1-4H3
InChI Key
FOBXOZMHEKILEY-UHFFFAOYSA-N
Formula
C15H24
SMILES
CC1CCCC2=CCC3C(C3(C)C)C21C
Molecular Weight1
204.35
CAS
6831-16-9
Other Names
  • Aristolene
  • Aristolen
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Physical Properties

Property Value Unit Source
ω 0.3185 Relay (1.0) Calculated Property
ΔfG° 227.40 kJ/mol Joback Calculated Property
ΔfH°gas -56.10 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 15.19 kJ/mol Joback Calculated Property
ΔvapH° 65.70 kJ/mol Relay (1.0) Calculated Property
IE 8.03 eV Relay (1.0) Calculated Property
log10WS -5.51 Relay (1.0) Calculated Property
logPoct/wat 4.415 Crippen Calculated Property
McVol 185.330 ml/mol McGowan Calculated Property
Pc 2117.78 kPa Joback Calculated Property
Inp [1416.00; 1486.00]   Show Hide
Inp 1417.00 NIST
Inp 1423.00 NIST
Inp 1429.00 NIST
Inp 1428.30 NIST
Inp 1418.00 NIST
Inp 1455.00 NIST
Inp 1428.00 NIST
Inp 1416.00 NIST
Inp 1472.00 NIST
Inp 1450.00 NIST
Inp Outlier 1486.00 NIST
Inp 1420.00 NIST
Inp 1484.00 NIST
Inp 1428.30 NIST
Inp 1417.00 NIST
Inp 1420.00 NIST
I [1552.00; 1589.00]   Show Hide
I 1552.00 NIST
I 1565.00 NIST
I 1553.00 NIST
I 1582.00 NIST
I 1572.00 NIST
I 1574.00 NIST
I 1589.00 NIST
I 1552.00 NIST
I 1553.00 NIST
I 1574.00 NIST
Tboil 526.86 K Relay (1.0) Calculated Property
Tc 769.50 K Relay (1.0) Calculated Property
Tfus 305.74 K Relay (1.0) Calculated Property
Vc 0.654 m3/kmol Relay (1.0) Calculated Property

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

«beta»-Calarene. 1H-Cyclopropa[a]naphthalene, 1a,2,3,5,6,7,7a,7b-octahydro-1,1,7,7a-tetramethyl-, [1aR-(1a«alpha»,7«alpha»,7a«alpha»,7b«alpha»)]-. 1(10)-Aristolene. [1aR-(1a,R,7R,7aR,7bR)]-1a,2,3,5,6,7,7a,7bocta-hydro-1,1,7,7a-tetramethyl-1H-cyclopropa[a]naphthalene. 1H-Cyclopropa[a]naphthalene, 1a,2,3,5,6,7a,7b-octahydro-1,1,7,7a-tetramethyl-, 1aR-1a«alpha»,7«alpha»,7a«alpha»,7b«beta». 1H-Cycloprop[a]naphthalene, 1a,2,3,5,6,7a,7b-octahydro-1,1,7,7a-tetramethyl, [1aR,1a«alpha»,7«alpha»,7b«beta»]. 1a«alpha»,7«alpha»,7a«alpha»,7b«alpha»-1H-Cyclopropa[a]naphthalene, 1a,2,3,5,6,7,7a,7b-octahydro-1,1,7,7a-tetramethyl. «alpha»-Maaliene. Aristolochene. 1,5-cis-Aromadendr-9-ene. Dehydroaromadendrene. Alloaromadendr-9-ene. Cholest-5-ene. 1,1,4,7-Tetramethyl-1a,2,3,4,6,7,7a,7b-octahydro-1H-cyclopropa[e]azulene. Tricyclo[6.3.0.0(2,4)]undec-8-ene, 3,3,7,11-tetramethyl-.

Find more compounds similar to (-)-Aristolene.

Sources

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