- InChI
- InChI=1S/C20H32/c1-16(2)8-6-9-17(3)10-7-11-19(5)20-14-12-18(4)13-15-20/h8,10,12,20H,5-7,9,11,13-15H2,1-4H3/b17-10+/t20-/m1/s1
- InChI Key
- XENHETWDODOOQC-OTJDAXFFSA-N
- Formula
- C20H32
- SMILES
-
C=C(CCC=C(C)CCC=C(C)C)C1CC=C(C
)CC1 - Molecular Weight1
- 272.47
- CAS
- 496942-13-3
- 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 | 0.4481 | Relay (... Calculated Property | |
| ΔfG° | 384.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -74.82 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 35.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.44 | kJ/mol | Relay (... Calculated Property |
| IE | 8.04 | eV | Relay (... Calculated Property |
| log10WS | -6.67 | Relay (... Calculated Property | |
| logPoct/wat | 6.762 | Crippen Calculated Property | |
| McVol | 264.600 | ml/mol | McGowan Calculated Property |
| Pc | 1321.35 | kPa | Joback Calculated Property |
| Inp | 1142.00 | NIST | |
| Tboil | 606.30 | K | Relay (... Calculated Property |
| Tc | 767.71 | K | Relay (... Calculated Property |
| Tfus | 252.80 | K | Relay (... Calculated Property |
| Vc | 0.915 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [747.72; 862.66] | J/mol×K | [685.33; 888.68] | 
|
| Cp,gas | 747.72 | J/mol×K | 685.33 | Joback Calculated Property |
| Cp,gas | 769.74 | J/mol×K | 719.22 | Joback Calculated Property |
| Cp,gas | 790.51 | J/mol×K | 753.11 | Joback Calculated Property |
| Cp,gas | 810.11 | J/mol×K | 787.00 | Joback Calculated Property |
| Cp,gas | 828.61 | J/mol×K | 820.89 | Joback Calculated Property |
| Cp,gas | 846.10 | J/mol×K | 854.78 | Joback Calculated Property |
| Cp,gas | 862.66 | J/mol×K | 888.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (+)-Axinyssene.
Sources
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