- InChI
- InChI=1S/C15H24O/c1-6-15(5)13(9-7-11(2)3)12(4)8-10-14(15)16/h6-7,9,11,13-14,16H,1,4,8,10H2,2-3,5H3/b9-7+/t13-,14-,15-/m1/s1
- InChI Key
- DXMDZNOPRIYRBA-DKZXYHOFSA-N
- Formula
- C15H24O
- SMILES
- C=CC1(C)C(O)CCC(=C)C1C=CC(C)C
- Molecular Weight1
- 220.35
- 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° | 160.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -154.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.38 | kJ/mol | Joback Calculated Property |
| log10WS | -4.21 | Crippen Calculated Property | |
| logPoct/wat | 3.718 | Crippen Calculated Property | |
| McVol | 204.320 | ml/mol | McGowan Calculated Property |
| Pc | 1956.14 | kPa | Joback Calculated Property |
| Inp | 1540.00 | NIST | |
| Tboil | 644.79 | K | Joback Calculated Property |
| Tc | 841.81 | K | Joback Calculated Property |
| Tfus | 334.27 | K | Joback Calculated Property |
| Vc | 0.762 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [564.24; 660.52] | J/mol×K | [644.79; 841.81] | 
|
| Cp,gas | 564.24 | J/mol×K | 644.79 | Joback Calculated Property |
| Cp,gas | 582.12 | J/mol×K | 677.63 | Joback Calculated Property |
| Cp,gas | 599.14 | J/mol×K | 710.46 | Joback Calculated Property |
| Cp,gas | 615.38 | J/mol×K | 743.30 | Joback Calculated Property |
| Cp,gas | 630.96 | J/mol×K | 776.14 | Joback Calculated Property |
| Cp,gas | 645.98 | J/mol×K | 808.97 | Joback Calculated Property |
| Cp,gas | 660.52 | J/mol×K | 841.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Incisol.
Sources
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