- InChI
- InChI=1S/C15H24/c1-10(2)13-8-15(4,5)9-14-11(3)6-7-12(13)14/h11H,6-9H2,1-5H3/t11-/m0/s1
- InChI Key
- XLVUTANZHOECMR-NSHDSACASA-N
- Formula
- C15H24
- SMILES
- CC(C)=C1CC(C)(C)CC2=C1CCC2C
- Molecular Weight1
- 204.35
- 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 | 0.3457 | Relay (1.0) Calculated Property | |
| ΔfG° | 202.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -61.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.869 | Crippen Calculated Property | |
| McVol | 191.890 | ml/mol | McGowan Calculated Property |
| Pc | 1996.55 | kPa | Joback Calculated Property |
| Inp | 1436.00 | NIST | |
| Tboil | 529.85 | K | Relay (1.0) Calculated Property |
| Tc | 734.47 | K | Relay (1.0) Calculated Property |
| Tfus | 303.19 | K | Relay (1.0) Calculated Property |
| Vc | 0.690 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [499.81; 610.49] | J/mol×K | [584.77; 805.24] | 
|
| Cp,gas | 499.81 | J/mol×K | 584.77 | Joback Calculated Property |
| Cp,gas | 520.83 | J/mol×K | 621.52 | Joback Calculated Property |
| Cp,gas | 540.61 | J/mol×K | 658.26 | Joback Calculated Property |
| Cp,gas | 559.31 | J/mol×K | 695.01 | Joback Calculated Property |
| Cp,gas | 577.08 | J/mol×K | 731.75 | Joback Calculated Property |
| Cp,gas | 594.09 | J/mol×K | 768.50 | Joback Calculated Property |
| Cp,gas | 610.49 | J/mol×K | 805.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Brazila-1(6),5(1)-diene.
Sources
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