- InChI
- InChI=1S/C13H16O3/c1-10(14)4-2-3-5-11-6-7-12-13(8-11)16-9-15-12/h6-8H,2-5,9H2,1H3
- InChI Key
- QPVNSWUFYMZFDL-UHFFFAOYSA-N
- Formula
- C13H16O3
- SMILES
- CC(=O)CCCCc1ccc2c(c1)OCO2
- Molecular Weight1
- 220.26
- 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° | -80.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -381.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.12 | kJ/mol | Joback Calculated Property |
| log10WS | -3.44 | Crippen Calculated Property | |
| logPoct/wat | 2.717 | Crippen Calculated Property | |
| McVol | 172.720 | ml/mol | McGowan Calculated Property |
| Pc | 2611.07 | kPa | Joback Calculated Property |
| Inp | [1773.00; 1773.00] |
|
|
| Inp | 1773.00 | NIST | |
| Inp | 1773.00 | NIST | |
| Tboil | 652.66 | K | Joback Calculated Property |
| Tc | 869.75 | K | Joback Calculated Property |
| Tfus | 412.98 | K | Joback Calculated Property |
| Vc | 0.661 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [460.91; 534.11] | J/mol×K | [652.66; 869.75] |
|
| Cp,gas | 460.91 | J/mol×K | 652.66 | Joback Calculated Property |
| Cp,gas | 475.22 | J/mol×K | 688.84 | Joback Calculated Property |
| Cp,gas | 488.60 | J/mol×K | 725.02 | Joback Calculated Property |
| Cp,gas | 501.12 | J/mol×K | 761.21 | Joback Calculated Property |
| Cp,gas | 512.84 | J/mol×K | 797.39 | Joback Calculated Property |
| Cp,gas | 523.82 | J/mol×K | 833.57 | Joback Calculated Property |
| Cp,gas | 534.11 | J/mol×K | 869.75 | Joback Calculated Property |
| η | [0.0003940; 0.0021287] | Pa×s | [412.98; 652.66] |
|
| η | 0.0021287 | Pa×s | 412.98 | Joback Calculated Property |
| η | 0.0014196 | Pa×s | 452.93 | Joback Calculated Property |
| η | 0.0010109 | Pa×s | 492.87 | Joback Calculated Property |
| η | 0.0007575 | Pa×s | 532.82 | Joback Calculated Property |
| η | 0.0005909 | Pa×s | 572.77 | Joback Calculated Property |
| η | 0.0004762 | Pa×s | 612.71 | Joback Calculated Property |
| η | 0.0003940 | Pa×s | 652.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hexanone, 6-(3,4-methylenedioxyphenyl).
Sources
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