- InChI
- InChI=1S/C15H16/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-9H,1H2,2-4H3
- InChI Key
- KFLXZUPIDNPCSD-UHFFFAOYSA-N
- Formula
- C15H16
- SMILES
- C=C(C)c1ccc(C)c2ccc(C)c-2c1
- Molecular Weight1
- 196.29
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 344.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 155.90 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.30 | kJ/mol | Joback Calculated Property |
| log10WS | -5.68 | Crippen Calculated Property | |
| logPoct/wat | 4.441 | Crippen Calculated Property | |
| McVol | 174.690 | ml/mol | McGowan Calculated Property |
| Pc | 2311.39 | kPa | Joback Calculated Property |
| Inp | [1792.00; 1796.00] |
|
|
| Inp | 1796.00 | NIST | |
| Inp | 1792.00 | NIST | |
| Inp | 1796.00 | NIST | |
| I | 2430.00 | NIST | |
| Tboil | 599.76 | K | Joback Calculated Property |
| Tc | 828.44 | K | Joback Calculated Property |
| Tfus | 339.77 | K | Joback Calculated Property |
| Vc | 0.671 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [417.47; 500.86] | J/mol×K | [599.76; 828.44] |
|
| Cp,gas | 417.47 | J/mol×K | 599.76 | Joback Calculated Property |
| Cp,gas | 433.79 | J/mol×K | 637.87 | Joback Calculated Property |
| Cp,gas | 449.04 | J/mol×K | 675.99 | Joback Calculated Property |
| Cp,gas | 463.30 | J/mol×K | 714.10 | Joback Calculated Property |
| Cp,gas | 476.64 | J/mol×K | 752.21 | Joback Calculated Property |
| Cp,gas | 489.14 | J/mol×K | 790.33 | Joback Calculated Property |
| Cp,gas | 500.86 | J/mol×K | 828.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Lactarazulene.
Sources
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