- InChI
- InChI=1S/C15H20O3/c1-12(16)6-4-2-3-5-7-13-8-9-14-15(10-13)18-11-17-14/h8-10H,2-7,11H2,1H3
- InChI Key
- DBBLBCCPXKEKRW-UHFFFAOYSA-N
- Formula
- C15H20O3
- SMILES
- CC(=O)CCCCCCc1ccc2c(c1)OCO2
- Molecular Weight1
- 248.32
- 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.
- 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° | -64.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -422.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.57 | kJ/mol | Joback Calculated Property |
| log10WS | -4.28 | Crippen Calculated Property | |
| logPoct/wat | 3.497 | Crippen Calculated Property | |
| McVol | 200.900 | ml/mol | McGowan Calculated Property |
| Pc | 2165.35 | kPa | Joback Calculated Property |
| Inp | [2017.00; 2017.00] |
|
|
| Inp | 2017.00 | NIST | |
| Inp | 2017.00 | NIST | |
| Tboil | 698.42 | K | Joback Calculated Property |
| Tc | 908.87 | K | Joback Calculated Property |
| Tfus | 435.52 | K | Joback Calculated Property |
| Vc | 0.773 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [564.77; 643.42] | J/mol×K | [698.42; 908.87] |
|
| Cp,gas | 564.77 | J/mol×K | 698.42 | Joback Calculated Property |
| Cp,gas | 580.01 | J/mol×K | 733.49 | Joback Calculated Property |
| Cp,gas | 594.32 | J/mol×K | 768.57 | Joback Calculated Property |
| Cp,gas | 607.75 | J/mol×K | 803.64 | Joback Calculated Property |
| Cp,gas | 620.37 | J/mol×K | 838.72 | Joback Calculated Property |
| Cp,gas | 632.24 | J/mol×K | 873.79 | Joback Calculated Property |
| Cp,gas | 643.42 | J/mol×K | 908.87 | Joback Calculated Property |
| η | [0.0003229; 0.0019583] | Pa×s | [435.52; 698.42] |
|
| η | 0.0019583 | Pa×s | 435.52 | Joback Calculated Property |
| η | 0.0012641 | Pa×s | 479.34 | Joback Calculated Property |
| η | 0.0008780 | Pa×s | 523.15 | Joback Calculated Property |
| η | 0.0006452 | Pa×s | 566.97 | Joback Calculated Property |
| η | 0.0004956 | Pa×s | 610.79 | Joback Calculated Property |
| η | 0.0003943 | Pa×s | 654.60 | Joback Calculated Property |
| η | 0.0003229 | Pa×s | 698.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Octanone, 8-(3,4-methylenedioxyphenyl).
Sources
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