- InChI
- InChI=1S/C15H22/c1-10-6-5-7-11-8-9-12-13(14(12,2)3)15(10,11)4/h7-10,12-13H,5-6H2,1-4H3/t10-,12-,13+,15+/m1/s1
- InChI Key
- UDSKJUQXHRQDLY-PBOSXPJTSA-N
- Formula
- C15H22
- SMILES
- CC1CCC=C2C=CC3C(C3(C)C)C21C
- Molecular Weight1
- 202.34
- 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 | 0.3097 | Relay (1.0) Calculated Property | |
| ΔfG° | 257.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 29.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.81 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.191 | Crippen Calculated Property | |
| McVol | 181.030 | ml/mol | McGowan Calculated Property |
| Pc | 2189.73 | kPa | Joback Calculated Property |
| Inp | 1426.00 | NIST | |
| I | 1576.00 | NIST | |
| Tboil | 516.37 | K | Relay (1.0) Calculated Property |
| Tc | 758.91 | K | Relay (1.0) Calculated Property |
| Tfus | 291.17 | K | Relay (1.0) Calculated Property |
| Vc | 0.638 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [483.94; 597.85] | J/mol×K | [565.80; 793.56] | 
|
| Cp,gas | 483.94 | J/mol×K | 565.80 | Joback Calculated Property |
| Cp,gas | 505.80 | J/mol×K | 603.76 | Joback Calculated Property |
| Cp,gas | 526.11 | J/mol×K | 641.72 | Joback Calculated Property |
| Cp,gas | 545.16 | J/mol×K | 679.68 | Joback Calculated Property |
| Cp,gas | 563.26 | J/mol×K | 717.64 | Joback Calculated Property |
| Cp,gas | 580.73 | J/mol×K | 755.60 | Joback Calculated Property |
| Cp,gas | 597.85 | J/mol×K | 793.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to aristola-1(10)-8 diene.
Sources
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