- InChI
- InChI=1S/C14H20O2/c1-10(2)12(9-8-11(3)15)13-6-4-5-7-14(13)16/h4-7,10,12,16H,8-9H2,1-3H3/t12-/m0/s1
- InChI Key
- PMIDBMKKOYSBHF-LBPRGKRZSA-N
- Formula
- C14H20O2
- SMILES
- CC(=O)CCC(c1ccccc1O)C(C)C
- Molecular Weight1
- 220.31
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | -109.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -396.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.02 | kJ/mol | Joback Calculated Property |
| log10WS | -3.34 | Crippen Calculated Property | |
| logPoct/wat | 3.501 | Crippen Calculated Property | |
| McVol | 191.800 | ml/mol | McGowan Calculated Property |
| Pc | 2492.52 | kPa | Joback Calculated Property |
| Inp | 1748.00 | NIST | |
| I | 2681.00 | NIST | |
| Tboil | 680.01 | K | Joback Calculated Property |
| Tc | 899.26 | K | Joback Calculated Property |
| Tfus | 405.61 | K | Joback Calculated Property |
| Vc | 0.671 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [525.96; 606.13] | J/mol×K | [680.01; 899.26] | 
|
| Cp,gas | 525.96 | J/mol×K | 680.01 | Joback Calculated Property |
| Cp,gas | 541.42 | J/mol×K | 716.55 | Joback Calculated Property |
| Cp,gas | 555.93 | J/mol×K | 753.09 | Joback Calculated Property |
| Cp,gas | 569.57 | J/mol×K | 789.63 | Joback Calculated Property |
| Cp,gas | 582.42 | J/mol×K | 826.17 | Joback Calculated Property |
| Cp,gas | 594.58 | J/mol×K | 862.71 | Joback Calculated Property |
| Cp,gas | 606.13 | J/mol×K | 899.26 | Joback Calculated Property |
| η | [0.0000163; 0.0014306] | Pa×s | [405.61; 680.01] |
|
| η | 0.0014306 | Pa×s | 405.61 | Joback Calculated Property |
| η | 0.0004652 | Pa×s | 451.34 | Joback Calculated Property |
| η | 0.0001860 | Pa×s | 497.08 | Joback Calculated Property |
| η | 0.0000868 | Pa×s | 542.81 | Joback Calculated Property |
| η | 0.0000456 | Pa×s | 588.54 | Joback Calculated Property |
| η | 0.0000263 | Pa×s | 634.28 | Joback Calculated Property |
| η | 0.0000163 | Pa×s | 680.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sesquichamaenol (1,10-seco-1-hydroxycalamenen-10-one).
Sources
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