- InChI
- InChI=1S/C14H22/c1-9(2)10-7-8-14(3)12-6-4-5-11(12)13(10)14/h5,9-10,12-13H,4,6-8H2,1-3H3/t10-,12+,13+,14-/m1/s1
- InChI Key
- VOVBFCUKWQPMAL-VZZFWQQMSA-N
- Formula
- C14H22
- SMILES
- CC(C)C1CCC2(C)C3CCC=C3C12
- Molecular Weight1
- 190.32
- 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.
- 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 | 0.3339 | Relay (... Calculated Property | |
| ΔfG° | 241.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 15.79 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 16.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.46 | kJ/mol | Relay (... Calculated Property |
| IE | 7.87 | eV | Relay (... Calculated Property |
| log10WS | -5.38 | Relay (... Calculated Property | |
| logPoct/wat | 4.025 | Crippen Calculated Property | |
| McVol | 171.240 | ml/mol | McGowan Calculated Property |
| Pc | 2254.67 | kPa | Joback Calculated Property |
| Inp | 1563.00 | NIST | |
| Tboil | 505.81 | K | Relay (... Calculated Property |
| Tc | 752.12 | K | Relay (... Calculated Property |
| Tfus | 254.33 | K | Relay (... Calculated Property |
| Vc | 0.615 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [451.27; 562.69] | J/mol×K | [543.48; 761.08] | 
|
| Cp,gas | 451.27 | J/mol×K | 543.48 | Joback Calculated Property |
| Cp,gas | 473.04 | J/mol×K | 579.75 | Joback Calculated Property |
| Cp,gas | 493.28 | J/mol×K | 616.01 | Joback Calculated Property |
| Cp,gas | 512.16 | J/mol×K | 652.28 | Joback Calculated Property |
| Cp,gas | 529.90 | J/mol×K | 688.55 | Joback Calculated Property |
| Cp,gas | 546.68 | J/mol×K | 724.82 | Joback Calculated Property |
| Cp,gas | 562.69 | J/mol×K | 761.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 15-nor-4-Bourbonene.
Sources
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