Chemical Properties of Bicyclo[2.2.1]heptane, 2-methyl-3-methylene-2-(4-methyl-3-pentenyl)-, (1S-exo)- (CAS 511-59-1)

Bicyclo[2.2.1]heptane, 2-methyl-3-methylene-2-(4-methyl-3-pentenyl)-, (1S-exo)-

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InChI
InChI=1S/C15H24/c1-11(2)6-5-9-15(4)12(3)13-7-8-14(15)10-13/h6,13-14H,3,5,7-10H2,1-2,4H3/t13?,14?,15-/m0/s1
InChI Key
PGBNIHXXFQBCPU-NRXISQOPSA-N
Formula
C15H24
SMILES
C=C1C2CCC(C2)C1(C)CCC=C(C)C
Molecular Weight1
204.35
CAS
511-59-1
Other Names
  • Norbornane, 2-methyl-3-methylene-2-(4-methyl-3-pentenyl)-
  • «beta»-Santalene
  • (-)-«beta»-Santalene
  • (1S-exo)-2-methyl-3-methylene-2-(4-methyl-3-pentenyl)bicyclo[2.2.1]heptane

Physical Properties

Property Value Unit Source
Δf 296.37 kJ/mol Joback Calculated Property
Δfgas -26.92 kJ/mol Joback Calculated Property
Δfus 21.28 kJ/mol Joback Calculated Property
Δvap 47.72 kJ/mol Joback Calculated Property
log10WS -4.87 Crippen Calculated Property
logPoct/wat 4.725 Crippen Calculated Property
McVol 191.890 ml/mol McGowan Calculated Property
Pc 1915.26 kPa Joback Calculated Property
Inp [1437.00; 1492.00]   Show Hide
Inp 1462.00 NIST
Inp 1461.00 NIST
Inp 1463.00 NIST
Inp 1458.00 NIST
Inp 1445.00 NIST
Inp 1462.00 NIST
Inp 1461.00 NIST
Inp 1456.00 NIST
Inp 1462.00 NIST
Inp 1467.00 NIST
Inp 1449.00 NIST
Inp 1449.00 NIST
Inp 1463.30 NIST
Inp Outlier 1492.00 NIST
Inp 1467.00 NIST
Inp 1457.00 NIST
Inp Outlier 1492.00 NIST
Inp 1460.00 NIST
Inp 1460.00 NIST
Inp 1437.00 NIST
Inp 1463.00 NIST
Inp 1458.00 NIST
Inp 1449.00 NIST
Inp 1469.00 NIST
Inp 1445.00 NIST
Inp 1459.00 NIST
Inp 1465.00 NIST
Inp 1443.00 NIST
Inp 1467.00 NIST
Inp 1453.00 NIST
Inp 1450.00 NIST
Inp 1450.00 NIST
Inp 1444.00 NIST
Inp 1474.00 NIST
Inp 1474.00 NIST
Inp 1448.00 NIST
Inp 1448.00 NIST
Inp 1468.00 NIST
Inp 1444.00 NIST
Inp 1468.00 NIST
I [1617.00; 1663.00]   Show Hide
I 1648.00 NIST
I 1620.00 NIST
I 1655.00 NIST
I Outlier 1617.00 NIST
I 1656.00 NIST
I 1628.00 NIST
I 1663.00 NIST
I 1649.00 NIST
I 1653.00 NIST
I 1653.00 NIST
I 1646.00 NIST
I 1656.00 NIST
I 1653.00 NIST
I 1648.00 NIST
Tboil 559.12 K Joback Calculated Property
Tc 765.28 K Joback Calculated Property
Tfus 305.47 K Joback Calculated Property
Vc 0.744 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [495.48; 603.56] J/mol×K [559.12; 765.28] Show Hide
Cp,gas 495.48 J/mol×K 559.12 Joback Calculated Property
Cp,gas 516.19 J/mol×K 593.48 Joback Calculated Property
Cp,gas 535.61 J/mol×K 627.84 Joback Calculated Property
Cp,gas 553.91 J/mol×K 662.20 Joback Calculated Property
Cp,gas 571.23 J/mol×K 696.56 Joback Calculated Property
Cp,gas 587.73 J/mol×K 730.92 Joback Calculated Property
Cp,gas 603.56 J/mol×K 765.28 Joback Calculated Property

Similar Compounds

Santalene (major). Bicyclo[2.2.1]heptane, 2-methyl-3-methylene-2-(4-methyl-3-pentenyl)-, (1S-endo)-. Santalene (minor). Hinesene. Eremophyllene. Naphthalene, 1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)-, [1S-(1«alpha»,7«alpha»,8a«alpha»)]-. Valencene (isomer II). Valencene (isomer I). Naphthalene, 1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)-, [1R-(1«alpha»,7«beta»,8a«alpha»)]-. (1R,5R)-1-Isopropyl-8-methyl-4-methylenespiro[4.5]dec-7-ene. Acora-4,10-diene. (3S,3aS,8aR)-6,8a-Dimethyl-3-(prop-1-en-2-yl)-1,2,3,3a,4,5,8,8a-octahydroazulene. Cholest-4-ene. Spiro[4.5]dec-7-ene, 1,8-dimethyl-4-(1-methylethenyl)-, [1S-(1«alpha»,4«beta»,5«alpha»)]-. (1R,4R,5S)-1,8-Dimethyl-4-(prop-1-en-2-yl)spiro[4.5]dec-7-ene.

Find more compounds similar to Bicyclo[2.2.1]heptane, 2-methyl-3-methylene-2-(4-methyl-3-pentenyl)-, (1S-exo)-.

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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