- InChI
- InChI=1S/C15H22/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h5-7,9-12,14H,8H2,1-4H3/t12?,14?,15-/m1/s1
- InChI Key
- BFYTTXKZKHLFMT-PESDSKBTSA-N
- Formula
- C15H22
- SMILES
- CC(C)C1=CC2C(C)C=CCC2(C)C=C1
- 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.
- 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 | 0.2842 | Relay (1.0) Calculated Property | |
| ΔfG° | 213.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 3.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.60 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.357 | Crippen Calculated Property | |
| McVol | 187.590 | ml/mol | McGowan Calculated Property |
| Pc | 2094.58 | kPa | Joback Calculated Property |
| Inp | 1443.00 | NIST | |
| Tboil | 502.76 | K | Relay (1.0) Calculated Property |
| Tc | 708.03 | K | Relay (1.0) Calculated Property |
| Tfus | 285.60 | K | Relay (1.0) Calculated Property |
| Vc | 0.654 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [481.34; 594.80] | J/mol×K | [570.75; 795.94] | 
|
| Cp,gas | 481.34 | J/mol×K | 570.75 | Joback Calculated Property |
| Cp,gas | 503.27 | J/mol×K | 608.28 | Joback Calculated Property |
| Cp,gas | 523.77 | J/mol×K | 645.81 | Joback Calculated Property |
| Cp,gas | 543.02 | J/mol×K | 683.35 | Joback Calculated Property |
| Cp,gas | 561.17 | J/mol×K | 720.88 | Joback Calculated Property |
| Cp,gas | 578.37 | J/mol×K | 758.41 | Joback Calculated Property |
| Cp,gas | 594.80 | J/mol×K | 795.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Eudesma-2,6,8-triene.
Sources
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