- InChI
- InChI=1S/C15H30/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h12-15H,5-11H2,1-4H3
- InChI Key
- NOWQRWPUNHMSAF-UHFFFAOYSA-N
- Formula
- C15H30
- SMILES
- CC(C)CCCC(C)C1CCC(C)CC1
- Molecular Weight1
- 210.40
- 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).
- 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° | 87.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -329.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.33 | kJ/mol | Joback Calculated Property |
| log10WS | -5.03 | Crippen Calculated Property | |
| logPoct/wat | 5.275 | Crippen Calculated Property | |
| McVol | 211.350 | ml/mol | McGowan Calculated Property |
| Pc | 1639.10 | kPa | Joback Calculated Property |
| Inp | [1448.00; 1448.00] |
|
|
| Inp | 1448.00 | NIST | |
| Inp | 1448.00 | NIST | |
| I | [1492.00; 1492.00] |
|
|
| I | 1492.00 | NIST | |
| I | 1492.00 | NIST | |
| Tboil | 556.60 | K | Joback Calculated Property |
| Tc | 749.41 | K | Joback Calculated Property |
| Tfus | 231.95 | K | Joback Calculated Property |
| Vc | 0.795 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [551.45; 676.81] | J/mol×K | [556.60; 749.41] |
|
| Cp,gas | 551.45 | J/mol×K | 556.60 | Joback Calculated Property |
| Cp,gas | 575.15 | J/mol×K | 588.74 | Joback Calculated Property |
| Cp,gas | 597.69 | J/mol×K | 620.87 | Joback Calculated Property |
| Cp,gas | 619.10 | J/mol×K | 653.01 | Joback Calculated Property |
| Cp,gas | 639.40 | J/mol×K | 685.14 | Joback Calculated Property |
| Cp,gas | 658.63 | J/mol×K | 717.28 | Joback Calculated Property |
| Cp,gas | 676.81 | J/mol×K | 749.41 | Joback Calculated Property |
| η | [0.0001782; 0.0120303] | Pa×s | [231.95; 556.60] |
|
| η | 0.0120303 | Pa×s | 231.95 | Joback Calculated Property |
| η | 0.0030693 | Pa×s | 286.06 | Joback Calculated Property |
| η | 0.0012093 | Pa×s | 340.17 | Joback Calculated Property |
| η | 0.0006152 | Pa×s | 394.27 | Joback Calculated Property |
| η | 0.0003685 | Pa×s | 448.38 | Joback Calculated Property |
| η | 0.0002464 | Pa×s | 502.49 | Joback Calculated Property |
| η | 0.0001782 | Pa×s | 556.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Bisabolane-a.
Sources
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