- InChI
- InChI=1S/C15H22O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5-9,13,15-16H,10H2,1-4H3
- InChI Key
- NRBFEAZFHRHFFQ-UHFFFAOYSA-N
- Formula
- C15H22O
- SMILES
- CC(C)=CC(O)CC(C)c1ccc(C)cc1
- Molecular Weight1
- 218.33
- 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° | 108.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -183.23 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.86 | kJ/mol | Joback Calculated Property |
| log10WS | -4.45 | Crippen Calculated Property | |
| logPoct/wat | 3.816 | Crippen Calculated Property | |
| McVol | 200.020 | ml/mol | McGowan Calculated Property |
| Pc | 2110.00 | kPa | Joback Calculated Property |
| Inp | [1637.10; 1637.10] |
|
|
| Inp | 1637.10 | NIST | |
| Inp | 1637.10 | NIST | |
| Tboil | 669.60 | K | Joback Calculated Property |
| Tc | 868.62 | K | Joback Calculated Property |
| Tfus | 309.53 | K | Joback Calculated Property |
| Vc | 0.755 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [539.39; 620.35] | J/mol×K | [669.60; 868.62] |
|
| Cp,gas | 539.39 | J/mol×K | 669.60 | Joback Calculated Property |
| Cp,gas | 554.94 | J/mol×K | 702.77 | Joback Calculated Property |
| Cp,gas | 569.60 | J/mol×K | 735.94 | Joback Calculated Property |
| Cp,gas | 583.42 | J/mol×K | 769.11 | Joback Calculated Property |
| Cp,gas | 596.45 | J/mol×K | 802.28 | Joback Calculated Property |
| Cp,gas | 608.75 | J/mol×K | 835.45 | Joback Calculated Property |
| Cp,gas | 620.35 | J/mol×K | 868.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Turmerol isomer Unknown.
Sources
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