- InChI
- InChI=1S/C10H10O3/c1-7(11)8-2-3-9-10(6-8)13-5-4-12-9/h2-3,6H,4-5H2,1H3
- InChI Key
- HGVWMTAIIYNQSI-UHFFFAOYSA-N
- Formula
- C10H10O3
- SMILES
- CC(=O)c1ccc2c(c1)OCCO2
- Molecular Weight1
- 178.18
- CAS
- 2879-20-1
- Other Names
-
- 6-Acetyl-1,4-benzodioxane
- 6-Acetyl-1,4-benzodioxan
- 1,4-Benzodioxin, ethanone deriv.
- Ketone, 1,4-benzodioxan-6-yl methyl
- 1,4-Benzodioxan-6-yl methyl ketone
- 1-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-ethanone
- 6-Acetylbenzodioxan
- 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation 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).
- 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° | -118.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -325.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.44 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 102.50 ± 1.10 | kJ/mol | NIST |
| ΔvapH° | 57.61 | kJ/mol | Joback Calculated Property |
| log10WS | -2.27 | Crippen Calculated Property | |
| logPoct/wat | 1.660 | Crippen Calculated Property | |
| McVol | 130.450 | ml/mol | McGowan Calculated Property |
| Pc | 3699.95 | kPa | Joback Calculated Property |
| Tboil | 588.29 | K | Joback Calculated Property |
| Tc | 825.92 | K | Joback Calculated Property |
| Tfus | 375.65 | K | Joback Calculated Property |
| Vc | 0.485 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [316.43; 381.86] | J/mol×K | [588.29; 825.92] | 
|
| Cp,gas | 316.43 | J/mol×K | 588.29 | Joback Calculated Property |
| Cp,gas | 329.57 | J/mol×K | 627.90 | Joback Calculated Property |
| Cp,gas | 341.73 | J/mol×K | 667.50 | Joback Calculated Property |
| Cp,gas | 352.99 | J/mol×K | 707.11 | Joback Calculated Property |
| Cp,gas | 363.39 | J/mol×K | 746.71 | Joback Calculated Property |
| Cp,gas | 372.99 | J/mol×K | 786.32 | Joback Calculated Property |
| Cp,gas | 381.86 | J/mol×K | 825.92 | Joback Calculated Property |
| η | [0.0003887; 0.0022571] | Pa×s | [375.65; 588.29] |
|
| η | 0.0022571 | Pa×s | 375.65 | Joback Calculated Property |
| η | 0.0014837 | Pa×s | 411.09 | Joback Calculated Property |
| η | 0.0010425 | Pa×s | 446.53 | Joback Calculated Property |
| η | 0.0007715 | Pa×s | 481.97 | Joback Calculated Property |
| η | 0.0005950 | Pa×s | 517.41 | Joback Calculated Property |
| η | 0.0004744 | Pa×s | 552.85 | Joback Calculated Property |
| η | 0.0003887 | Pa×s | 588.29 | Joback Calculated Property |
| ΔfusH | 23.49 | kJ/mol | 356.00 | NIST |
Similar Compounds
Find more compounds similar to Ethanone, 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-.
Sources
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