- InChI
- InChI=1S/C15H22O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-10,16H,5,11H2,1-4H3
- InChI Key
- WQIRCLDVWQIBLO-UHFFFAOYSA-N
- Formula
- C15H22O
- SMILES
- CC(C)=CCCC(C)(O)c1ccc(C)cc1
- Molecular Weight1
- 218.33
- CAS
- 92691-77-5
- 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.
- 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 |
|---|---|---|---|
| ω | 0.6800 | Relay (1.0) Calculated Property | |
| ΔfG° | 115.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -218.86 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.949 | Crippen Calculated Property | |
| McVol | 200.020 | ml/mol | McGowan Calculated Property |
| Pc | 2115.83 | kPa | Joback Calculated Property |
| Inp | [1625.00; 1645.00] |
|
|
| Inp | 1638.00 | NIST | |
| Inp | 1636.00 | NIST | |
| Inp | 1635.00 | NIST | |
| Inp | 1640.00 | NIST | |
| Inp | 1645.00 | NIST | |
| Inp | 1640.00 | NIST | |
| Inp | 1625.00 | NIST | |
| Inp | 1638.00 | NIST | |
| Inp | 1625.00 | NIST | |
| Inp | 1635.00 | NIST | |
| Inp | 1645.00 | NIST | |
| I | [2312.00; 2312.00] |
|
|
| I | 2312.00 | NIST | |
| I | 2312.00 | NIST | |
| Tboil | 563.60 | K | Relay (1.0) Calculated Property |
| Tc | 768.79 | K | Relay (1.0) Calculated Property |
| Tfus | 325.10 | K | Relay (1.0) Calculated Property |
| Vc | 0.718 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [541.23; 621.41] | J/mol×K | [667.25; 869.10] |
|
| Cp,gas | 541.23 | J/mol×K | 667.25 | Joback Calculated Property |
| Cp,gas | 556.72 | J/mol×K | 700.89 | Joback Calculated Property |
| Cp,gas | 571.27 | J/mol×K | 734.53 | Joback Calculated Property |
| Cp,gas | 584.95 | J/mol×K | 768.18 | Joback Calculated Property |
| Cp,gas | 597.82 | J/mol×K | 801.82 | Joback Calculated Property |
| Cp,gas | 609.95 | J/mol×K | 835.46 | Joback Calculated Property |
| Cp,gas | 621.41 | J/mol×K | 869.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Gossonorol.
Sources
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