![Naphthalene, 1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)-, [1R-(1«alpha»,7«beta»,8a«alpha»)]-](/cid/62-954-4/Naphthalene-1-2-3-5-6-7-8-8a-octahydro-1-8a-dimethyl-7-1-methylethenyl-1R-1-alpha-7-beta-8a-alpha.png "Naphthalene, 1,2,3,5,6,7,8,8a-octahydro-1,8a-dimethyl-7-(1-methylethenyl)-, [1R-(1«alpha»,7«beta»,8a«alpha»)]-")
- 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
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 15.49 | kJ/mol | Joback Calculated Property |
| logPoct/wat | 4.725 | Crippen Calculated Property | |
| McVol | 191.890 | ml/mol | McGowan Calculated Property |
| Inp | [1448.00; 1518.00] |
|
|
| 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 | 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 | 1491.00 | NIST | |
| Inp | 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 | Outlier 1515.00 | NIST | |
| Inp | 1499.00 | NIST | |
| Inp | 1475.00 | NIST | |
| Inp | 1488.00 | NIST | |
| Inp | 1487.00 | NIST | |
| Inp | 1496.00 | NIST | |
| Inp | Outlier 1457.00 | NIST | |
| Ip | [1689.00; 1775.00] |
|
|
| Ip | 1726.00 | NIST | |
| Ip | 1726.00 | NIST | |
| Ip | 1760.00 | NIST | |
| Ip | 1718.00 | NIST | |
| Ip | 1721.00 | NIST | |
| Ip | 1711.00 | NIST | |
| Ip | 1713.00 | NIST | |
| Ip | 1717.00 | NIST | |
| Ip | 1727.00 | NIST | |
| Ip | 1713.00 | NIST | |
| Ip | 1731.00 | NIST | |
| Ip | 1726.00 | NIST | |
| Ip | Outlier 1689.00 | NIST | |
| Ip | 1720.00 | NIST | |
| Ip | 1728.00 | NIST | |
| Ip | 1721.00 | NIST | |
| Ip | 1725.00 | NIST | |
| Ip | 1705.00 | NIST | |
| Ip | 1751.00 | NIST | |
| Ip | 1728.00 | NIST | |
| Ip | 1713.00 | NIST | |
| Ip | 1704.00 | NIST | |
| Ip | 1751.00 | NIST | |
| Ip | 1750.00 | NIST | |
| Ip | 1726.00 | NIST | |
| Ip | 1751.00 | NIST | |
| Ip | 1719.00 | NIST | |
| Ip | 1725.00 | NIST | |
| Ip | 1727.00 | NIST | |
| Ip | 1740.00 | NIST | |
| Ip | 1751.00 | NIST | |
| Ip | 1711.00 | NIST | |
| Ip | 1755.00 | NIST | |
| Ip | Outlier 1772.00 | NIST | |
| Ip | 1707.00 | NIST | |
| Ip | 1714.00 | NIST | |
| Ip | 1699.00 | NIST | |
| Ip | 1737.00 | NIST | |
| Ip | 1751.00 | NIST | |
| Ip | 1722.00 | NIST | |
| Ip | 1722.00 | NIST | |
| Ip | Outlier 1771.00 | NIST | |
| Ip | Outlier 1775.00 | NIST | |
| Ip | 1740.00 | NIST | |
| Ip | 1740.00 | NIST | |
| Ip | 1696.00 | NIST | |
| Ip | 1744.00 | NIST | |
| Ip | 1740.00 | NIST | |
| Ip | 1740.00 | NIST | |
| Ip | 1740.00 | NIST | |
| Ip | 1740.00 | NIST | |
| Ip | 1740.00 | NIST | |
| Ip | 1740.00 | NIST | |
| Ip | 1751.00 | NIST | |
| Ip | 1740.00 | NIST | |
| Ip | 1741.00 | NIST | |
| Ip | 1740.00 | NIST | |
| Ip | 1740.00 | NIST | |
| Ip | 1751.00 | NIST | |
| Ip | 1725.00 | NIST | |
| Ip | 1740.00 | NIST | |
| Ip | 1751.00 | NIST | |
| Ip | 1726.00 | NIST | |
| Ip | 1713.00 | NIST | |
| Ip | 1705.00 | NIST | |
| Ip | 1755.00 | NIST | |
| Ip | 1737.00 | NIST | |
| Ip | Outlier 1775.00 | NIST | |
| Ip | 1718.00 | NIST |
Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [241.99; 710.65] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -1.56370e+02 | |||
| Coefficient B | 1.82206e+00 | |||
| Coefficient C | -1.46964e-03 | |||
| Coefficient D | 5.14600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 241.99 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 327.08 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 400.12 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 462.73 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 516.55 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 563.20 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 604.31 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 641.50 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 676.40 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 710.65 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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property mean.
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