- InChI
- InChI=1S/C15H22/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h5-6,13H,1,7-10H2,2-4H3
- InChI Key
- LGRISOGTKBAJPA-UHFFFAOYSA-N
- Formula
- C15H22
- SMILES
- C=C(C)C1CCC2(C)CC=CC(C)=C2C1
- Molecular Weight1
- 202.34
- CAS
- 82462-31-5
- 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 | 0.2935 | Relay (1.0) Calculated Property | |
| ΔfG° | 262.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 35.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.41 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.85 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.93 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.645 | Crippen Calculated Property | |
| McVol | 187.590 | ml/mol | McGowan Calculated Property |
| Pc | 2135.43 | kPa | Joback Calculated Property |
| Inp | [1478.60; 1478.60] |
|
|
| Inp | 1478.60 | NIST | |
| Inp | 1478.60 | NIST | |
| Tboil | 540.87 | K | Relay (1.0) Calculated Property |
| Tc | 737.44 | K | Relay (1.0) Calculated Property |
| Tfus | 281.31 | K | Relay (1.0) Calculated Property |
| Vc | 0.640 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [479.59; 591.25] | J/mol×K | [578.24; 806.39] |
|
| Cp,gas | 479.59 | J/mol×K | 578.24 | Joback Calculated Property |
| Cp,gas | 501.10 | J/mol×K | 616.26 | Joback Calculated Property |
| Cp,gas | 521.21 | J/mol×K | 654.29 | Joback Calculated Property |
| Cp,gas | 540.12 | J/mol×K | 692.31 | Joback Calculated Property |
| Cp,gas | 557.97 | J/mol×K | 730.34 | Joback Calculated Property |
| Cp,gas | 574.96 | J/mol×K | 768.36 | Joback Calculated Property |
| Cp,gas | 591.25 | J/mol×K | 806.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Eudesma-2,4,11-triene.
Sources
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