- InChI
- InChI=1S/C15H22/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h5,7,9,12-13H,1,6,8,10H2,2-4H3
- InChI Key
- RSKODCFDTXJUBN-UHFFFAOYSA-N
- Formula
- C15H22
- SMILES
- C=C(C)C1CC=C2C=CCC(C)C2(C)C1
- Molecular Weight1
- 202.34
- CAS
- 5090-61-9
- Other Names
-
- Naphthalene, 1,2,6,7,8,8a-hexahydro-1,8a-dimethyl-7-(1-methylethenyl)-, (1R,7R,8aS)-
- 4«beta»H,5«alpha»-Eremophila-1,9,11-triene
- Naphthalene, 1,2,6,7,8,8a-hexahydro-1,8a-dimethyl-7-(1-methylethenyl)-, [1R-(1«alpha»,7«beta»,8a«alpha»)]-
- Nootkatene
- (-)-Nootkatene
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 264.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -17.34 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.69 | kJ/mol | Joback Calculated Property |
| log10WS | -4.73 | Crippen Calculated Property | |
| logPoct/wat | 4.501 | Crippen Calculated Property | |
| McVol | 187.590 | ml/mol | McGowan Calculated Property |
| Pc | 2100.34 | kPa | Joback Calculated Property |
| Inp | 1511.00 | NIST | |
| I | 1815.00 | NIST | |
| Tboil | 568.59 | K | Joback Calculated Property |
| Tc | 795.68 | K | Joback Calculated Property |
| Tfus | 298.59 | K | Joback Calculated Property |
| Vc | 0.709 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [479.93; 595.59] | J/mol×K | [568.59; 795.68] | 
|
| Cp,gas | 479.93 | J/mol×K | 568.59 | Joback Calculated Property |
| Cp,gas | 502.32 | J/mol×K | 606.44 | Joback Calculated Property |
| Cp,gas | 523.23 | J/mol×K | 644.29 | Joback Calculated Property |
| Cp,gas | 542.85 | J/mol×K | 682.13 | Joback Calculated Property |
| Cp,gas | 561.34 | J/mol×K | 719.98 | Joback Calculated Property |
| Cp,gas | 578.86 | J/mol×K | 757.83 | Joback Calculated Property |
| Cp,gas | 595.59 | J/mol×K | 795.68 | Joback Calculated Property |
Similar Compounds
Sources
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