- InChI
- InChI=1S/C13H18O3/c1-4-11(14)7-5-10-6-8-12(15-2)13(9-10)16-3/h6,8-9H,4-5,7H2,1-3H3
- InChI Key
- SOWKMIKWOOVRAB-UHFFFAOYSA-N
- Formula
- C13H18O3
- SMILES
- CCC(=O)CCc1ccc(OC)c(OC)c1
- Molecular Weight1
- 222.28
- CAS
- 39728-56-8
- 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° | -187.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -475.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.70 | kJ/mol | Joback Calculated Property |
| log10WS | -3.05 | Crippen Calculated Property | |
| logPoct/wat | 2.615 | Crippen Calculated Property | |
| McVol | 183.580 | ml/mol | McGowan Calculated Property |
| Pc | 2191.78 | kPa | Joback Calculated Property |
| Inp | [1786.50; 1786.50] |
|
|
| Inp | 1786.50 | NIST | |
| Inp | 1786.50 | NIST | |
| Tboil | 632.19 | K | Joback Calculated Property |
| Tc | 835.04 | K | Joback Calculated Property |
| Tfus | 382.12 | K | Joback Calculated Property |
| Vc | 0.698 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [468.92; 547.81] | J/mol×K | [632.19; 835.04] |
|
| Cp,gas | 468.92 | J/mol×K | 632.19 | Joback Calculated Property |
| Cp,gas | 484.01 | J/mol×K | 666.00 | Joback Calculated Property |
| Cp,gas | 498.32 | J/mol×K | 699.81 | Joback Calculated Property |
| Cp,gas | 511.85 | J/mol×K | 733.62 | Joback Calculated Property |
| Cp,gas | 524.61 | J/mol×K | 767.43 | Joback Calculated Property |
| Cp,gas | 536.60 | J/mol×K | 801.23 | Joback Calculated Property |
| Cp,gas | 547.81 | J/mol×K | 835.04 | Joback Calculated Property |
| η | [0.0001297; 0.0009821] | Pa×s | [382.12; 632.19] |
|
| η | 0.0009821 | Pa×s | 382.12 | Joback Calculated Property |
| η | 0.0005937 | Pa×s | 423.80 | Joback Calculated Property |
| η | 0.0003927 | Pa×s | 465.48 | Joback Calculated Property |
| η | 0.0002781 | Pa×s | 507.16 | Joback Calculated Property |
| η | 0.0002075 | Pa×s | 548.83 | Joback Calculated Property |
| η | 0.0001613 | Pa×s | 590.51 | Joback Calculated Property |
| η | 0.0001297 | Pa×s | 632.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-(3,4-Dimethoxyphenyl)pentan-3-one.
Sources
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