Chemical Properties of Naphthalene, 1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)-, [1R-(1«alpha»,7«beta»,8a«alpha»)]- (CAS 4630-07-3)

Naphthalene, 1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)-, [1R-(1«alpha»,7«beta»,8a«alpha»)]-

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InChI
InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h7,12-13H,1,5-6,8-10H2,2-4H3
InChI Key
QEBNYNLSCGVZOH-UHFFFAOYSA-N
Formula
C15H24
SMILES
C=C(C)C1CCC2=CCCC(C)C2(C)C1
Molecular Weight1
204.35
CAS
4630-07-3
Other Names
  • 4«beta»H,5«alpha»-Eremophila-1(10),11-diene
  • (+)-Valencene
  • Valencen
  • Valencene
  • 4«alpha»,10«alpha»-Dimethyl-6«beta»-isopropyl-«delta»1,9-octalin
  • Valencene 85
  • [1R-(1«alpha»,7«beta»,8«alpha»)]-1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylvinyl)naphthalene

Physical Properties

Property Value Unit Source
Δf 234.94 kJ/mol Joback Calculated Property
Δfgas -75.12 kJ/mol Joback Calculated Property
Δfus 15.49 kJ/mol Joback Calculated Property
Δvap 48.40 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 2032.72 kPa Joback Calculated Property
Inp [1448.00; 1518.00]   Show Hide
Inp Outlier 1457.00 NIST
Inp 1479.00 NIST
Inp 1495.00 NIST
Inp 1493.00 NIST
Inp 1474.00 NIST
Inp 1476.00 NIST
Inp Outlier 1458.00 NIST
Inp 1491.00 NIST
Inp 1471.00 NIST
Inp 1489.00 NIST
Inp 1491.00 NIST
Inp 1491.00 NIST
Inp 1474.00 NIST
Inp 1484.00 NIST
Inp 1484.00 NIST
Inp 1472.00 NIST
Inp 1490.00 NIST
Inp 1488.00 NIST
Inp 1481.00 NIST
Inp 1486.00 NIST
Inp 1496.00 NIST
Inp 1483.00 NIST
Inp 1490.00 NIST
Inp Outlier 1466.00 NIST
Inp Outlier 1515.00 NIST
Inp Outlier 1515.00 NIST
Inp 1493.00 NIST
Inp 1492.00 NIST
Inp 1492.00 NIST
Inp 1491.00 NIST
Inp 1490.00 NIST
Inp 1498.30 NIST
Inp 1490.00 NIST
Inp 1480.00 NIST
Inp 1489.00 NIST
Inp 1499.00 NIST
Inp 1493.00 NIST
Inp 1491.00 NIST
Inp 1489.00 NIST
Inp 1490.00 NIST
Inp 1475.00 NIST
Inp 1495.00 NIST
Inp 1491.00 NIST
Inp 1479.00 NIST
Inp 1491.00 NIST
Inp 1488.00 NIST
Inp 1496.00 NIST
Inp Outlier 1515.00 NIST
Inp 1493.00 NIST
Inp 1482.00 NIST
Inp 1490.00 NIST
Inp 1478.00 NIST
Inp 1493.00 NIST
Inp Outlier 1513.00 NIST
Inp 1491.00 NIST
Inp 1491.00 NIST
Inp 1494.00 NIST
Inp 1490.00 NIST
Inp 1496.00 NIST
Inp 1495.00 NIST
Inp 1487.00 NIST
Inp 1485.00 NIST
Inp Outlier 1456.00 NIST
Inp 1494.00 NIST
Inp 1500.00 NIST
Inp 1496.00 NIST
Inp 1491.00 NIST
Inp 1491.00 NIST
Inp 1503.40 NIST
Inp 1498.00 NIST
Inp 1507.00 NIST
Inp Outlier 1465.00 NIST
Inp 1496.00 NIST
Inp 1500.00 NIST
Inp 1491.00 NIST
Inp 1499.00 NIST
Inp 1491.00 NIST
Inp 1491.00 NIST
Inp 1489.00 NIST
Inp 1493.00 NIST
Inp 1488.00 NIST
Inp 1489.00 NIST
Inp 1507.00 NIST
Inp 1496.00 NIST
Inp 1496.00 NIST
Inp 1500.00 NIST
Inp 1471.00 NIST
Inp 1471.00 NIST
Inp 1492.00 NIST
Inp 1491.00 NIST
Inp 1490.00 NIST
Inp 1488.00 NIST
Inp 1490.00 NIST
Inp 1507.00 NIST
Inp 1496.00 NIST
Inp 1496.00 NIST
Inp 1497.00 NIST
Inp 1495.00 NIST
Inp 1490.00 NIST
Inp 1492.00 NIST
Inp 1494.00 NIST
Inp 1499.00 NIST
Inp 1486.00 NIST
Inp 1481.00 NIST
Inp 1492.00 NIST
Inp Outlier 1518.00 NIST
Inp 1498.00 NIST
Inp 1483.00 NIST
Inp Outlier 1516.00 NIST
Inp 1496.00 NIST
Inp 1472.00 NIST
Inp 1485.00 NIST
Inp 1496.00 NIST
Inp 1485.00 NIST
Inp 1499.00 NIST
Inp 1496.00 NIST
Inp 1495.00 NIST
Inp 1496.00 NIST
Inp 1487.00 NIST
Inp 1497.00 NIST
Inp 1490.00 NIST
Inp 1477.00 NIST
Inp 1469.00 NIST
Inp 1491.00 NIST
Inp Outlier 1448.00 NIST
Inp 1488.00 NIST
Inp 1497.00 NIST
Inp 1492.00 NIST
Inp 1483.00 NIST
Inp 1490.00 NIST
Inp 1486.00 NIST
Inp 1469.00 NIST
Inp 1481.00 NIST
Inp 1482.00 NIST
Inp 1487.00 NIST
Inp Outlier 1451.00 NIST
Inp 1491.00 NIST
Inp 1496.00 NIST
Inp 1490.00 NIST
Inp 1492.00 NIST
Inp 1492.00 NIST
Inp 1484.00 NIST
Inp 1479.00 NIST
Inp 1492.00 NIST
Inp 1492.00 NIST
Inp 1484.00 NIST
Inp 1492.00 NIST
Inp 1484.00 NIST
Inp 1500.00 NIST
Inp 1499.00 NIST
Inp 1483.00 NIST
Inp 1487.00 NIST
Inp 1488.00 NIST
Inp 1493.00 NIST
Inp Outlier 1462.00 NIST
Inp Outlier 1467.00 NIST
Inp 1482.00 NIST
Inp 1498.00 NIST
Inp 1495.00 NIST
Inp 1503.00 NIST
Inp 1492.00 NIST
Inp 1495.00 NIST
Inp 1487.00 NIST
Inp 1497.00 NIST
Inp 1490.00 NIST
Inp 1491.00 NIST
Inp 1490.00 NIST
Inp 1499.00 NIST
Inp 1474.00 NIST
Inp 1489.00 NIST
Inp 1494.00 NIST
Inp 1487.00 NIST
Inp 1482.00 NIST
Inp 1482.00 NIST
Inp 1483.00 NIST
Inp 1487.00 NIST
Inp Outlier 1512.00 NIST
Inp 1499.00 NIST
Inp 1500.00 NIST
Inp 1491.00 NIST
Inp 1499.00 NIST
Inp 1495.00 NIST
Inp 1483.00 NIST
Inp 1491.00 NIST
Inp 1495.00 NIST
Inp 1498.00 NIST
Inp 1493.00 NIST
Inp 1477.00 NIST
Inp 1494.00 NIST
Inp Outlier 1513.00 NIST
Inp 1493.00 NIST
Inp 1477.00 NIST
Inp 1492.00 NIST
Inp 1493.00 NIST
Inp 1493.00 NIST
Inp 1491.00 NIST
Inp 1510.00 NIST
Inp 1510.00 NIST
Inp 1495.00 NIST
Inp 1495.00 NIST
Inp 1492.00 NIST
Inp 1493.00 NIST
Inp 1491.00 NIST
Inp 1477.00 NIST
Inp 1496.00 NIST
Inp 1495.00 NIST
Inp 1481.00 NIST
Inp 1487.00 NIST
Inp 1490.00 NIST
Inp 1485.00 NIST
Inp 1510.00 NIST
Inp 1490.00 NIST
Inp 1482.00 NIST
Inp 1488.00 NIST
Inp 1477.00 NIST
Inp 1492.00 NIST
Inp 1481.00 NIST
Inp 1490.00 NIST
Inp 1487.00 NIST
Inp Outlier 1457.00 NIST
Inp Outlier 1512.00 NIST
Inp 1495.00 NIST
Inp 1493.00 NIST
Inp 1477.00 NIST
Inp 1510.00 NIST
Inp 1481.00 NIST
Inp 1490.00 NIST
Inp 1491.00 NIST
I [1689.00; 1775.00]   Show Hide
I 1726.00 NIST
I 1726.00 NIST
I 1760.00 NIST
I 1718.00 NIST
I 1721.00 NIST
I 1711.00 NIST
I 1713.00 NIST
I 1717.00 NIST
I 1727.00 NIST
I 1713.00 NIST
I 1731.00 NIST
I 1726.00 NIST
I Outlier 1689.00 NIST
I 1720.00 NIST
I 1728.00 NIST
I 1721.00 NIST
I 1725.00 NIST
I 1705.00 NIST
I 1751.00 NIST
I 1728.00 NIST
I 1713.00 NIST
I 1704.00 NIST
I 1751.00 NIST
I 1750.00 NIST
I 1726.00 NIST
I 1751.00 NIST
I 1719.00 NIST
I 1725.00 NIST
I 1727.00 NIST
I 1740.00 NIST
I 1751.00 NIST
I 1711.00 NIST
I 1755.00 NIST
I Outlier 1772.00 NIST
I 1707.00 NIST
I 1714.00 NIST
I 1699.00 NIST
I 1737.00 NIST
I 1751.00 NIST
I 1722.00 NIST
I 1722.00 NIST
I Outlier 1771.00 NIST
I Outlier 1775.00 NIST
I 1740.00 NIST
I 1740.00 NIST
I 1696.00 NIST
I 1744.00 NIST
I 1740.00 NIST
I 1740.00 NIST
I 1740.00 NIST
I 1740.00 NIST
I 1740.00 NIST
I 1740.00 NIST
I 1751.00 NIST
I 1740.00 NIST
I 1741.00 NIST
I 1740.00 NIST
I 1740.00 NIST
I 1751.00 NIST
I 1713.00 NIST
I 1726.00 NIST
I 1705.00 NIST
I 1751.00 NIST
I 1725.00 NIST
I 1755.00 NIST
I 1737.00 NIST
I Outlier 1775.00 NIST
I 1740.00 NIST
I 1718.00 NIST
Tboil 569.43 K Joback Calculated Property
Tc 794.31 K Joback Calculated Property
Tfus 297.83 K Joback Calculated Property
Vc 0.723 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [499.65; 621.57] J/mol×K [569.43; 794.31] Show Hide
Cp,gas 499.65 J/mol×K 569.43 Joback Calculated Property
Cp,gas 523.17 J/mol×K 606.91 Joback Calculated Property
Cp,gas 545.19 J/mol×K 644.39 Joback Calculated Property
Cp,gas 565.88 J/mol×K 681.87 Joback Calculated Property
Cp,gas 585.40 J/mol×K 719.35 Joback Calculated Property
Cp,gas 603.90 J/mol×K 756.83 Joback Calculated Property
Cp,gas 621.57 J/mol×K 794.31 Joback Calculated Property

Similar Compounds

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 I). Valencene (isomer II). Eremophyllene. Hinesene. 4,5-di-epi-aristolochene. 5-epi-Aristolochene. 4,5-di-epi-Aristoloshene. (4R,4aS,6S)-4,4a-Dimethyl-6-(prop-1-en-2-yl)-1,2,3,4,4a,5,6,7-octahydronaphthalene. 1,5-di-epi-Aristolochene. (+)-Aristolochene. 24-Norursa-3,12-diene. 24-Noroleana-3,12-diene. Aristolochene. (+)-«beta»-bazzanene.

Find more compounds similar to Naphthalene, 1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)-, [1R-(1«alpha»,7«beta»,8a«alpha»)]-.

Sources

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