![Naphthalene, 1,2,4a,5,8,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, [1S-(1«alpha»,4a«beta»,8a«alpha»)]-](/cid/42-895-2/Naphthalene-1-2-4a-5-8-8a-hexahydro-4-7-dimethyl-1-1-methylethyl-1S-1-alpha-4a-beta-8a-alpha.png "Naphthalene, 1,2,4a,5,8,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, [1S-(1«alpha»,4a«beta»,8a«alpha»)]-")
- InChI
- InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-6,10,13-15H,7-9H2,1-4H3/t13-,14-,15-/m1/s1
- InChI Key
- USDOQCCMRDNVAH-RBSFLKMASA-N
- Formula
- C15H24
- SMILES
- CC1=CCC2C(C)=CCC(C(C)C)C2C1
- Molecular Weight1
- 204.35
- CAS
- 523-47-7
- Other Names
-
- Cadina-3,9-diene
- «beta»-Cadinene, (-)-
- (-)-«beta»-Cadinene
- Cadine-3,9-diene
- NCI-C56008
- 1-Isopropyl-4,7-dimethyl-1,2,4a,5,8,8a-hexahydronaphthalene-, [1S-(1«alpha»,4a«beta»,8a«alpha»)]-
- «beta»-Cadinene
- beta-Cadinene
- Naphthalene, 1,2,4a,5,8,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S,4aR,8aS)-
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.3113 | Relay (... Calculated Property | |
| ΔfG° | 179.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -46.59 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 21.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.21 | kJ/mol | Relay (... Calculated Property |
| IE | 8.16 | eV | Relay (... Calculated Property |
| log10WS | -5.60 | Relay (... Calculated Property | |
| logPoct/wat | 4.581 | Crippen Calculated Property | |
| McVol | 191.890 | ml/mol | McGowan Calculated Property |
| Pc | 1921.98 | kPa | Joback Calculated Property |
| Inp | [1471.00; 1536.00] |
|
|
| Inp | 1529.00 | NIST | |
| Inp | 1472.00 | NIST | |
| Inp | 1491.00 | NIST | |
| Inp | 1474.00 | NIST | |
| Inp | 1518.00 | NIST | |
| Inp | 1508.00 | NIST | |
| Inp | 1517.00 | NIST | |
| Inp | 1520.00 | NIST | |
| Inp | 1523.00 | NIST | |
| Inp | 1518.00 | NIST | |
| Inp | 1520.00 | NIST | |
| Inp | 1522.00 | NIST | |
| Inp | 1521.00 | NIST | |
| Inp | 1536.00 | NIST | |
| Inp | 1520.00 | NIST | |
| Inp | 1527.00 | NIST | |
| Inp | 1520.00 | NIST | |
| Inp | 1472.00 | NIST | |
| Inp | 1481.00 | NIST | |
| Inp | 1530.00 | NIST | |
| Inp | 1529.00 | NIST | |
| Inp | 1471.00 | NIST | |
| Inp | 1473.00 | NIST | |
| Inp | 1473.00 | NIST | |
| Inp | 1493.00 | NIST | |
| Inp | 1474.00 | NIST | |
| Inp | 1532.00 | NIST | |
| Inp | 1474.00 | NIST | |
| Inp | 1475.00 | NIST | |
| Inp | 1520.00 | NIST | |
| Inp | 1520.00 | NIST | |
| Inp | 1518.00 | NIST | |
| Inp | 1529.00 | NIST | |
| Inp | 1523.00 | NIST | |
| Inp | 1519.00 | NIST | |
| Inp | 1515.00 | NIST | |
| Inp | 1521.00 | NIST | |
| I | 1720.00 | NIST | |
| Tboil | 534.52 | K | Relay (... Calculated Property |
| Tc | 735.13 | K | Relay (... Calculated Property |
| Tfus | 261.57 | K | Relay (... Calculated Property |
| Vc | 0.656 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [503.29; 621.19] | J/mol×K | [576.33; 791.72] |
|
| Cp,gas | 503.29 | J/mol×K | 576.33 | Joback Calculated Property |
| Cp,gas | 526.08 | J/mol×K | 612.23 | Joback Calculated Property |
| Cp,gas | 547.54 | J/mol×K | 648.13 | Joback Calculated Property |
| Cp,gas | 567.74 | J/mol×K | 684.03 | Joback Calculated Property |
| Cp,gas | 586.71 | J/mol×K | 719.93 | Joback Calculated Property |
| Cp,gas | 604.51 | J/mol×K | 755.83 | Joback Calculated Property |
| Cp,gas | 621.19 | J/mol×K | 791.72 | Joback Calculated Property |
| η | [0.0003401; 0.0020754] | Pa×s | [287.93; 576.33] |
|
| η | 0.0020754 | Pa×s | 287.93 | Joback Calculated Property |
| η | 0.0012375 | Pa×s | 336.00 | Joback Calculated Property |
| η | 0.0008398 | Pa×s | 384.06 | Joback Calculated Property |
| η | 0.0006213 | Pa×s | 432.13 | Joback Calculated Property |
| η | 0.0004882 | Pa×s | 480.20 | Joback Calculated Property |
| η | 0.0004008 | Pa×s | 528.26 | Joback Calculated Property |
| η | 0.0003401 | Pa×s | 576.33 | Joback Calculated Property |
Similar Compounds
Sources
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