- InChI
- InChI=1S/C14H24O/c1-10-7-14(4,9-15)6-5-12-11(10)8-13(12,2)3/h11-12,15H,1,5-9H2,2-4H3/t11-,12-,14+/m0/s1
- InChI Key
- YLDRPYZNHCKPGS-SGMGOOAPSA-N
- Formula
- C14H24O
- SMILES
- C=C1CC(C)(CO)CCC2C1CC2(C)C
- Molecular Weight1
- 208.34
- 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).
- 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° | 42.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -283.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.02 | kJ/mol | Joback Calculated Property |
| log10WS | -3.62 | Crippen Calculated Property | |
| logPoct/wat | 3.387 | Crippen Calculated Property | |
| McVol | 187.970 | ml/mol | McGowan Calculated Property |
| Pc | 2284.95 | kPa | Joback Calculated Property |
| I | [2149.00; 2149.00] |
|
|
| I | 2149.00 | NIST | |
| I | 2149.00 | NIST | |
| I | 2149.00 | NIST | |
| Tboil | 628.49 | K | Joback Calculated Property |
| Tc | 832.54 | K | Joback Calculated Property |
| Tfus | 386.68 | K | Joback Calculated Property |
| Vc | 0.707 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [536.69; 638.02] | J/mol×K | [628.49; 832.54] |
|
| Cp,gas | 536.69 | J/mol×K | 628.49 | Joback Calculated Property |
| Cp,gas | 555.11 | J/mol×K | 662.50 | Joback Calculated Property |
| Cp,gas | 572.67 | J/mol×K | 696.51 | Joback Calculated Property |
| Cp,gas | 589.56 | J/mol×K | 730.52 | Joback Calculated Property |
| Cp,gas | 605.96 | J/mol×K | 764.52 | Joback Calculated Property |
| Cp,gas | 622.05 | J/mol×K | 798.53 | Joback Calculated Property |
| Cp,gas | 638.02 | J/mol×K | 832.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Birkenol.
Sources
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