- InChI
- InChI=1S/C15H24/c1-11-6-5-7-12(2)10-14-13(9-8-11)15(14,3)4/h6,10,13-14H,5,7-9H2,1-4H3/b11-6-,12-10+
- InChI Key
- VPDZRSSKICPUEY-QVIJUPDLSA-N
- Formula
- C15H24
- SMILES
- CC1=CC2C(CCC(C)=CCC1)C2(C)C
- Molecular Weight1
- 204.35
- CAS
- 67650-90-2
- ω : Acentric Factor.
- 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).
- 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 | 0.2797 | Relay (1.0) Calculated Property | |
| ΔfG° | 163.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -39.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.725 | Crippen Calculated Property | |
| McVol | 191.890 | ml/mol | McGowan Calculated Property |
| Pc | 2030.89 | kPa | Joback Calculated Property |
| Inp | [1470.00; 1532.00] |
|
|
| Inp | 1505.00 | NIST | |
| Inp | 1494.00 | NIST | |
| Inp | 1492.00 | NIST | |
| Inp | Outlier 1532.00 | NIST | |
| Inp | 1494.00 | NIST | |
| Inp | 1510.00 | NIST | |
| Inp | 1511.00 | NIST | |
| Inp | 1493.00 | NIST | |
| Inp | 1496.00 | NIST | |
| Inp | 1494.00 | NIST | |
| Inp | 1495.00 | NIST | |
| Inp | 1500.00 | NIST | |
| Inp | 1495.00 | NIST | |
| Inp | 1483.00 | NIST | |
| Inp | 1500.00 | NIST | |
| Inp | 1494.00 | NIST | |
| Inp | 1510.00 | NIST | |
| Inp | 1512.00 | NIST | |
| Inp | 1502.00 | NIST | |
| Inp | 1504.00 | NIST | |
| Inp | 1490.00 | NIST | |
| Inp | 1503.00 | NIST | |
| Inp | 1499.00 | NIST | |
| Inp | 1491.00 | NIST | |
| Inp | 1507.00 | NIST | |
| Inp | 1499.00 | NIST | |
| Inp | 1494.00 | NIST | |
| Inp | 1482.00 | NIST | |
| Inp | 1491.00 | NIST | |
| Inp | 1500.00 | NIST | |
| Inp | 1502.00 | NIST | |
| Inp | 1503.00 | NIST | |
| Inp | 1501.00 | NIST | |
| Inp | 1501.00 | NIST | |
| Inp | 1501.00 | NIST | |
| Inp | 1498.00 | NIST | |
| Inp | 1486.00 | NIST | |
| Inp | 1493.00 | NIST | |
| Inp | 1495.00 | NIST | |
| Inp | 1500.00 | NIST | |
| Inp | Outlier 1470.00 | NIST | |
| Inp | 1495.00 | NIST | |
| Inp | 1487.00 | NIST | |
| Inp | 1490.00 | NIST | |
| Inp | 1496.00 | NIST | |
| Inp | 1493.00 | NIST | |
| Inp | 1500.00 | NIST | |
| Inp | 1497.00 | NIST | |
| Inp | 1498.00 | NIST | |
| Inp | 1500.00 | NIST | |
| Inp | 1511.00 | NIST | |
| Inp | 1511.00 | NIST | |
| Inp | 1494.00 | NIST | |
| Inp | 1489.00 | NIST | |
| Inp | 1495.00 | NIST | |
| Inp | 1499.00 | NIST | |
| Inp | 1497.00 | NIST | |
| Inp | 1503.00 | NIST | |
| Inp | 1500.00 | NIST | |
| Inp | 1492.00 | NIST | |
| Inp | 1505.00 | NIST | |
| Inp | 1510.00 | NIST | |
| Inp | 1495.00 | NIST | |
| Inp | 1494.00 | NIST | |
| Inp | 1490.00 | NIST | |
| Inp | 1499.00 | NIST | |
| Inp | 1502.00 | NIST | |
| Inp | 1498.00 | NIST | |
| Inp | Outlier 1470.00 | NIST | |
| I | [1699.00; 1769.00] |
|
|
| I | 1706.00 | NIST | |
| I | 1735.00 | NIST | |
| I | 1769.00 | NIST | |
| I | 1699.00 | NIST | |
| I | 1755.00 | NIST | |
| I | 1756.00 | NIST | |
| I | 1756.00 | NIST | |
| I | 1738.00 | NIST | |
| I | 1755.00 | NIST | |
| Tboil | 536.16 | K | Relay (1.0) Calculated Property |
| Tc | 738.95 | K | Relay (1.0) Calculated Property |
| Tfus | 274.12 | K | Relay (1.0) Calculated Property |
| Vc | 0.633 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [503.31; 624.78] | J/mol×K | [581.28; 808.29] |
|
| Cp,gas | 503.31 | J/mol×K | 581.28 | Joback Calculated Property |
| Cp,gas | 526.59 | J/mol×K | 619.11 | Joback Calculated Property |
| Cp,gas | 548.47 | J/mol×K | 656.95 | Joback Calculated Property |
| Cp,gas | 569.08 | J/mol×K | 694.78 | Joback Calculated Property |
| Cp,gas | 588.58 | J/mol×K | 732.62 | Joback Calculated Property |
| Cp,gas | 607.10 | J/mol×K | 770.45 | Joback Calculated Property |
| Cp,gas | 624.78 | J/mol×K | 808.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Bicyclogermacrene.
Sources
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that the value is more than 2 standard deviations away from the
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