- InChI
- InChI=1S/C18H28O3/c1-4-5-6-7-8-9-16(19)12-10-15-11-13-17(20-2)18(14-15)21-3/h11,13-14H,4-10,12H2,1-3H3
- InChI Key
- WPGKEQMMTRTWDF-UHFFFAOYSA-N
- Formula
- C18H28O3
- SMILES
- CCCCCCCC(=O)CCc1ccc(OC)c(OC)c1
- Molecular Weight1
- 292.41
- CAS
- 39728-61-5
- 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° | -145.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -578.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.83 | kJ/mol | Joback Calculated Property |
| log10WS | -5.14 | Crippen Calculated Property | |
| logPoct/wat | 4.566 | Crippen Calculated Property | |
| McVol | 254.030 | ml/mol | McGowan Calculated Property |
| Pc | 1461.25 | kPa | Joback Calculated Property |
| Inp | [2267.90; 2267.90] |
|
|
| Inp | 2267.90 | NIST | |
| Inp | 2267.90 | NIST | |
| Tboil | 746.59 | K | Joback Calculated Property |
| Tc | 939.89 | K | Joback Calculated Property |
| Tfus | 438.47 | K | Joback Calculated Property |
| Vc | 0.978 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [740.07; 828.68] | J/mol×K | [746.59; 939.89] |
|
| Cp,gas | 740.07 | J/mol×K | 746.59 | Joback Calculated Property |
| Cp,gas | 757.25 | J/mol×K | 778.81 | Joback Calculated Property |
| Cp,gas | 773.44 | J/mol×K | 811.02 | Joback Calculated Property |
| Cp,gas | 788.67 | J/mol×K | 843.24 | Joback Calculated Property |
| Cp,gas | 802.95 | J/mol×K | 875.46 | Joback Calculated Property |
| Cp,gas | 816.28 | J/mol×K | 907.67 | Joback Calculated Property |
| Cp,gas | 828.68 | J/mol×K | 939.89 | Joback Calculated Property |
| η | [0.0000738; 0.0007241] | Pa×s | [438.47; 746.59] |
|
| η | 0.0007241 | Pa×s | 438.47 | Joback Calculated Property |
| η | 0.0004053 | Pa×s | 489.82 | Joback Calculated Property |
| η | 0.0002533 | Pa×s | 541.18 | Joback Calculated Property |
| η | 0.0001717 | Pa×s | 592.53 | Joback Calculated Property |
| η | 0.0001239 | Pa×s | 643.88 | Joback Calculated Property |
| η | 0.0000938 | Pa×s | 695.24 | Joback Calculated Property |
| η | 0.0000738 | Pa×s | 746.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-(3,4-Dimethoxyphenyl)decan-3-one.
Sources
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