- InChI
- InChI=1S/C14H20O3/c1-4-5-12(15)8-6-11-7-9-13(16-2)14(10-11)17-3/h7,9-10H,4-6,8H2,1-3H3
- InChI Key
- PQRJLNAKELCEAC-UHFFFAOYSA-N
- Formula
- C14H20O3
- SMILES
- CCCC(=O)CCc1ccc(OC)c(OC)c1
- Molecular Weight1
- 236.31
- CAS
- 39728-57-9
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.7096 | Relay (... Calculated Property | |
| ΔfG° | -178.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -453.95 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 29.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.65 | kJ/mol | Relay (... Calculated Property |
| IE | 7.89 | eV | Relay (... Calculated Property |
| log10WS | -2.59 | Relay (... Calculated Property | |
| logPoct/wat | 3.006 | Crippen Calculated Property | |
| McVol | 197.670 | ml/mol | McGowan Calculated Property |
| Pc | 2007.30 | kPa | Joback Calculated Property |
| Inp | [1828.50; 1828.50] |
|
|
| Inp | 1828.50 | NIST | |
| Inp | 1828.50 | NIST | |
| Tboil | 588.43 | K | Relay (... Calculated Property |
| Tc | 779.78 | K | Relay (... Calculated Property |
| Tfus | 336.98 | K | Relay (... Calculated Property |
| Vc | 0.722 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [520.54; 602.13] | J/mol×K | [655.07; 855.23] |
|
| Cp,gas | 520.54 | J/mol×K | 655.07 | Joback Calculated Property |
| Cp,gas | 536.18 | J/mol×K | 688.43 | Joback Calculated Property |
| Cp,gas | 551.00 | J/mol×K | 721.79 | Joback Calculated Property |
| Cp,gas | 565.00 | J/mol×K | 755.15 | Joback Calculated Property |
| Cp,gas | 578.19 | J/mol×K | 788.51 | Joback Calculated Property |
| Cp,gas | 590.56 | J/mol×K | 821.87 | Joback Calculated Property |
| Cp,gas | 602.13 | J/mol×K | 855.23 | Joback Calculated Property |
| η | [0.0001171; 0.0009388] | Pa×s | [393.39; 655.07] |
|
| η | 0.0009388 | Pa×s | 393.39 | Joback Calculated Property |
| η | 0.0005581 | Pa×s | 437.00 | Joback Calculated Property |
| η | 0.0003646 | Pa×s | 480.62 | Joback Calculated Property |
| η | 0.0002557 | Pa×s | 524.23 | Joback Calculated Property |
| η | 0.0001894 | Pa×s | 567.84 | Joback Calculated Property |
| η | 0.0001464 | Pa×s | 611.46 | Joback Calculated Property |
| η | 0.0001171 | Pa×s | 655.07 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-(3,4-Dimethoxyphenyl)hexan-3-one.
Sources
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