- InChI
- InChI=1S/C8H8O2/c1-2-4-8-7(3-1)5-9-6-10-8/h1-4H,5-6H2
- InChI Key
- TWSIYGATPWEKBK-UHFFFAOYSA-N
- Formula
- C8H8O2
- SMILES
- c1ccc2c(c1)COCO2
- Molecular Weight1
- 136.15
- Other Names
-
- 1,3-Benzodioxan
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -211.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.40 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.553 | Crippen Calculated Property | |
| McVol | 100.700 | ml/mol | McGowan Calculated Property |
| Pc | 4444.44 | kPa | Joback Calculated Property |
| Tboil | 473.66 | K | Relay (1.0) Calculated Property |
| Tc | 732.22 | K | Relay (1.0) Calculated Property |
| Tfus | 285.60 | K | NIST |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [213.84; 278.73] | J/mol×K | [483.88; 720.85] | 
|
| Cp,gas | 213.84 | J/mol×K | 483.88 | Joback Calculated Property |
| Cp,gas | 226.94 | J/mol×K | 523.37 | Joback Calculated Property |
| Cp,gas | 239.04 | J/mol×K | 562.87 | Joback Calculated Property |
| Cp,gas | 250.20 | J/mol×K | 602.36 | Joback Calculated Property |
| Cp,gas | 260.50 | J/mol×K | 641.86 | Joback Calculated Property |
| Cp,gas | 269.99 | J/mol×K | 681.35 | Joback Calculated Property |
| Cp,gas | 278.73 | J/mol×K | 720.85 | Joback Calculated Property |
| η | [0.0004146; 0.0030174] | Pa×s | [290.66; 483.88] |
|
| η | 0.0030174 | Pa×s | 290.66 | Joback Calculated Property |
| η | 0.0018378 | Pa×s | 322.86 | Joback Calculated Property |
| η | 0.0012247 | Pa×s | 355.07 | Joback Calculated Property |
| η | 0.0008731 | Pa×s | 387.27 | Joback Calculated Property |
| η | 0.0006557 | Pa×s | 419.47 | Joback Calculated Property |
| η | 0.0005129 | Pa×s | 451.68 | Joback Calculated Property |
| η | 0.0004146 | Pa×s | 483.88 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [374.10; 483.50] | K | [2.70; 101.00] |
|
| Tboilr | 374.10 ± 0.50 | K | 2.70 | NIST |
| Tboilr | 483.50 ± 0.50 | K | 101.00 | NIST |
Similar Compounds
Find more compounds similar to 4H-1,3-Benzodioxin.
Sources
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