- InChI
- InChI=1S/C17H24O2/c1-3-5-6-7-8-9-10-14-17(19)15-12-11-13-16(18)4-2/h4,10,14,16-19H,2-3,5-9H2,1H3/b14-10-/t16-,17+/m0/s1
- InChI Key
- QWCNQXNAFCBLLV-OQDIJTRPSA-N
- Formula
- C17H24O2
- SMILES
- C=CC(O)C#CC#CC(O)C=CCCCCCCC
- Molecular Weight1
- 260.37
- CAS
- 55297-87-5
- 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.
- 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° | 387.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 78.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.61 | kJ/mol | Joback Calculated Property |
| log10WS | -4.99 | Crippen Calculated Property | |
| logPoct/wat | 2.818 | Crippen Calculated Property | |
| McVol | 236.330 | ml/mol | McGowan Calculated Property |
| Pc | 2000.12 | kPa | Joback Calculated Property |
| Inp | [2190.00; 2190.00] |
|
|
| Inp | 2190.00 | NIST | |
| Inp | 2190.00 | NIST | |
| Tboil | 790.68 | K | Joback Calculated Property |
| Tc | 984.23 | K | Joback Calculated Property |
| Tfus | 578.35 | K | Joback Calculated Property |
| Vc | 0.898 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [676.89; 748.44] | J/mol×K | [790.68; 984.23] |
|
| Cp,gas | 676.89 | J/mol×K | 790.68 | Joback Calculated Property |
| Cp,gas | 690.30 | J/mol×K | 822.94 | Joback Calculated Property |
| Cp,gas | 703.06 | J/mol×K | 855.20 | Joback Calculated Property |
| Cp,gas | 715.21 | J/mol×K | 887.45 | Joback Calculated Property |
| Cp,gas | 726.79 | J/mol×K | 919.71 | Joback Calculated Property |
| Cp,gas | 737.85 | J/mol×K | 951.97 | Joback Calculated Property |
| Cp,gas | 748.44 | J/mol×K | 984.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Falcarindiol.
Sources
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