- InChI
- InChI=1S/C6H8O3/c7-6-4-2-1-3-5(8-4)9-6/h4-5H,1-3H2
- InChI Key
- FDTQYEHORIQWRC-UHFFFAOYSA-N
- Formula
- C6H8O3
- SMILES
- O=C1OC2CCCC1O2
- Molecular Weight1
- 128.13
- CAS
- 5257-20-5
- Other Names
-
- 7,8-dioxabicyclo[3.2.1]octan-6-one
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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 | 0.3830 | Relay (... Calculated Property | |
| ΔfG° | -197.89 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -527.51 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 18.83 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.41 | kJ/mol | Relay (... Calculated Property |
| IE | 10.18 | eV | Relay (... Calculated Property |
| log10WS | -0.46 | Relay (... Calculated Property | |
| logPoct/wat | 0.438 | Crippen Calculated Property | |
| McVol | 86.990 | ml/mol | McGowan Calculated Property |
| Pc | 4646.65 | kPa | Joback Calculated Property |
| Tboil | 489.98 | K | Relay (... Calculated Property |
| Tc | 744.38 | K | Relay (... Calculated Property |
| Tfus | 393.88 | K | Relay (... Calculated Property |
| Vc | 0.345 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [205.75; 277.00] | J/mol×K | [480.42; 714.56] | 
|
| Cp,gas | 205.75 | J/mol×K | 480.42 | Joback Calculated Property |
| Cp,gas | 219.61 | J/mol×K | 519.44 | Joback Calculated Property |
| Cp,gas | 232.64 | J/mol×K | 558.47 | Joback Calculated Property |
| Cp,gas | 244.87 | J/mol×K | 597.49 | Joback Calculated Property |
| Cp,gas | 256.33 | J/mol×K | 636.51 | Joback Calculated Property |
| Cp,gas | 267.03 | J/mol×K | 675.54 | Joback Calculated Property |
| Cp,gas | 277.00 | J/mol×K | 714.56 | Joback Calculated Property |
Similar Compounds
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)
Find more compounds similar to 7-Oxy-6, 8-dioxabicyclo-(3,2,1) - octane.
Sources
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