- InChI
- InChI=1S/C8H6O2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-6H
- InChI Key
- HPARLNRMYDSBNO-UHFFFAOYSA-N
- Formula
- C8H6O2
- SMILES
- C1=COc2ccccc2O1
- Molecular Weight1
- 134.13
- CAS
- 255-37-8
- ω : Acentric Factor.
- 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).
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.3862 | Relay (1.0) Calculated Property | |
| ΔfG° | 33.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -68.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.929 | Crippen Calculated Property | |
| McVol | 96.400 | ml/mol | McGowan Calculated Property |
| Pc | 4665.71 | kPa | Joback Calculated Property |
| Tboil | 466.00 | K | NIST |
| Tc | 711.34 | K | Relay (1.0) Calculated Property |
| Tfus | 304.07 | K | Relay (1.0) Calculated Property |
| Vc | 0.367 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [197.66; 254.58] | J/mol×K | [482.84; 722.27] | 
|
| Cp,gas | 197.66 | J/mol×K | 482.84 | Joback Calculated Property |
| Cp,gas | 209.32 | J/mol×K | 522.74 | Joback Calculated Property |
| Cp,gas | 220.02 | J/mol×K | 562.65 | Joback Calculated Property |
| Cp,gas | 229.83 | J/mol×K | 602.55 | Joback Calculated Property |
| Cp,gas | 238.82 | J/mol×K | 642.46 | Joback Calculated Property |
| Cp,gas | 247.05 | J/mol×K | 682.36 | Joback Calculated Property |
| Cp,gas | 254.58 | J/mol×K | 722.27 | Joback Calculated Property |
| η | [0.0004085; 0.0025598] | Pa×s | [291.42; 482.84] |
|
| η | 0.0025598 | Pa×s | 291.42 | Joback Calculated Property |
| η | 0.0016212 | Pa×s | 323.32 | Joback Calculated Property |
| η | 0.0011145 | Pa×s | 355.23 | Joback Calculated Property |
| η | 0.0008150 | Pa×s | 387.13 | Joback Calculated Property |
| η | 0.0006251 | Pa×s | 419.03 | Joback Calculated Property |
| η | 0.0004977 | Pa×s | 450.94 | Joback Calculated Property |
| η | 0.0004085 | Pa×s | 482.84 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 355.00 ± 1.00 | K | 2.10 | NIST |
Similar Compounds
Find more compounds similar to 1,4-Benzodioxin.
Sources
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