- InChI
- InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6-8,15H,5,9-11H2,1-4H3/b14-7-
- InChI Key
- YHBUQBJHSRGZNF-AUWJEWJLSA-N
- Formula
- C15H24
- SMILES
- CC(C)=CCC=C(C)C1CC=C(C)CC1
- Molecular Weight1
- 204.35
- CAS
- 29837-07-8
- Other Names
-
- 4-[(1Z)-1,5-Dimethyl-1,4-hexadienyl]-1-methyl-1-cyclohexene
- «alpha»-Bisabolene (Z)
- (Z)-«alpha»-Bisabolene
- Cyclohexene, 4-[(1Z)-1,5-dimethyl-1,4-hexadien-1-yl]-1-methyl-
- 2,5-Heptadiene, 2-methyl-6-(4-methyl-3-cyclohexen-1-yl)-, (Z)-
- Cyclohexene, 4-(1,5-dimethyl-1,4-hexadienyl)-1-methyl-, (Z)-
- (Z)-«alpha»-Bisabilene
- 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° | 263.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -37.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.44 | kJ/mol | Joback Calculated Property |
| log10WS | -5.32 | Crippen Calculated Property | |
| logPoct/wat | 5.035 | Crippen Calculated Property | |
| McVol | 198.450 | ml/mol | McGowan Calculated Property |
| Pc | 1861.11 | kPa | Joback Calculated Property |
| Inp | [1479.00; 1521.00] |
|
|
| Inp | 1511.00 | NIST | |
| Inp | 1500.00 | NIST | |
| Inp | 1501.00 | NIST | |
| Inp | 1508.00 | NIST | |
| Inp | Outlier 1521.00 | NIST | |
| Inp | 1504.00 | NIST | |
| Inp | 1505.00 | NIST | |
| Inp | 1494.00 | NIST | |
| Inp | 1504.00 | NIST | |
| Inp | 1495.00 | NIST | |
| Inp | 1503.00 | NIST | |
| Inp | 1503.00 | NIST | |
| Inp | 1509.00 | NIST | |
| Inp | 1502.00 | NIST | |
| Inp | 1495.00 | NIST | |
| Inp | 1496.00 | NIST | |
| Inp | 1496.00 | NIST | |
| Inp | 1509.00 | NIST | |
| Inp | 1495.00 | NIST | |
| Inp | 1503.00 | NIST | |
| Inp | 1499.00 | NIST | |
| Inp | 1504.00 | NIST | |
| Inp | 1504.00 | NIST | |
| Inp | 1504.00 | NIST | |
| Inp | 1498.00 | NIST | |
| Inp | 1501.00 | NIST | |
| Inp | 1504.00 | NIST | |
| Inp | 1493.00 | NIST | |
| Inp | Outlier 1479.00 | NIST | |
| Inp | 1508.00 | NIST | |
| Inp | 1509.00 | NIST | |
| Inp | 1492.00 | NIST | |
| Inp | 1499.00 | NIST | |
| Inp | 1498.00 | NIST | |
| Inp | 1503.00 | NIST | |
| Inp | 1504.00 | NIST | |
| Inp | 1498.00 | NIST | |
| Inp | 1496.00 | NIST | |
| Inp | 1496.00 | NIST | |
| Inp | 1509.00 | NIST | |
| Inp | 1501.00 | NIST | |
| Inp | 1504.00 | NIST | |
| Inp | 1495.00 | NIST | |
| Inp | 1504.00 | NIST | |
| Inp | 1503.00 | NIST | |
| Inp | 1508.00 | NIST | |
| Inp | 1504.00 | NIST | |
| Inp | 1502.00 | NIST | |
| Inp | 1495.00 | NIST | |
| I | [1702.00; 1772.00] |
|
|
| I | 1727.00 | NIST | |
| I | 1702.00 | NIST | |
| I | 1724.00 | NIST | |
| I | 1761.00 | NIST | |
| I | 1772.00 | NIST | |
| I | 1720.00 | NIST | |
| I | 1740.00 | NIST | |
| I | 1740.00 | NIST | |
| I | 1719.00 | NIST | |
| I | 1759.00 | NIST | |
| I | 1759.00 | NIST | |
| I | 1740.00 | NIST | |
| I | 1761.00 | NIST | |
| I | 1719.00 | NIST | |
| Tboil | 574.37 | K | Joback Calculated Property |
| Tc | 785.97 | K | Joback Calculated Property |
| Tfus | 241.39 | K | Joback Calculated Property |
| Vc | 0.756 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [495.01; 604.60] | J/mol×K | [574.37; 785.97] |
|
| Cp,gas | 495.01 | J/mol×K | 574.37 | Joback Calculated Property |
| Cp,gas | 516.16 | J/mol×K | 609.64 | Joback Calculated Property |
| Cp,gas | 536.07 | J/mol×K | 644.90 | Joback Calculated Property |
| Cp,gas | 554.80 | J/mol×K | 680.17 | Joback Calculated Property |
| Cp,gas | 572.42 | J/mol×K | 715.43 | Joback Calculated Property |
| Cp,gas | 589.00 | J/mol×K | 750.70 | Joback Calculated Property |
| Cp,gas | 604.60 | J/mol×K | 785.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to cis-«alpha»-Bisabolene.
Sources
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