- InChI
- InChI=1S/C14H24O2/c1-9(2)10-6-8-14(3)7-4-5-11(15)12(14)13(10)16/h9-10,12-13,16H,4-8H2,1-3H3/t10-,12+,13+,14+/m1/s1
- InChI Key
- HUHFIOUWECMWGK-SAXRGWBVSA-N
- Formula
- C14H24O2
- SMILES
- CC(C)C1CCC2(C)CCCC(=O)C2C1O
- Molecular Weight1
- 224.34
- 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° | -142.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -531.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.04 | kJ/mol | Joback Calculated Property |
| log10WS | -3.16 | Crippen Calculated Property | |
| logPoct/wat | 2.789 | Crippen Calculated Property | |
| McVol | 193.840 | ml/mol | McGowan Calculated Property |
| Pc | 2293.71 | kPa | Joback Calculated Property |
| I | [2356.00; 2356.00] |
|
|
| I | 2356.00 | NIST | |
| I | 2356.00 | NIST | |
| Tboil | 700.74 | K | Joback Calculated Property |
| Tc | 917.59 | K | Joback Calculated Property |
| Tfus | 398.80 | K | Joback Calculated Property |
| Vc | 0.718 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [604.71; 712.04] | J/mol×K | [700.74; 917.59] |
|
| Cp,gas | 604.71 | J/mol×K | 700.74 | Joback Calculated Property |
| Cp,gas | 624.74 | J/mol×K | 736.88 | Joback Calculated Property |
| Cp,gas | 643.77 | J/mol×K | 773.02 | Joback Calculated Property |
| Cp,gas | 661.91 | J/mol×K | 809.16 | Joback Calculated Property |
| Cp,gas | 679.26 | J/mol×K | 845.31 | Joback Calculated Property |
| Cp,gas | 695.94 | J/mol×K | 881.45 | Joback Calculated Property |
| Cp,gas | 712.04 | J/mol×K | 917.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-«beta»-Hydroxy noreudesman-4-one.
Sources
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