- InChI
- InChI=1S/C9H8O3/c10-6-7-1-2-8-9(5-7)12-4-3-11-8/h1-2,5-6H,3-4H2
- InChI Key
- CWKXDPPQCVWXAG-UHFFFAOYSA-N
- Formula
- C9H8O3
- SMILES
- O=Cc1ccc2c(c1)OCCO2
- Molecular Weight1
- 164.16
- CAS
- 29668-44-8
- Other Names
-
- 1,4-Benzodioxin-6-carboxaldehyde, 2,3-dihydro-
- 7-Formyl-1,4-benzodioxane
- 2,3-dihydro-1,4-benzodioxin-6-carbaldehyde
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -97.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -278.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.54 | kJ/mol | Joback Calculated Property |
| ΔsubH° | 98.20 ± 1.40 | kJ/mol | NIST |
| ΔvapH° | 55.36 | kJ/mol | Joback Calculated Property |
| log10WS | -1.85 | Crippen Calculated Property | |
| logPoct/wat | 1.270 | Crippen Calculated Property | |
| McVol | 116.360 | ml/mol | McGowan Calculated Property |
| Pc | 4233.04 | kPa | Joback Calculated Property |
| Tboil | 560.20 | K | Joback Calculated Property |
| Tc | 796.98 | K | Joback Calculated Property |
| Tfus | 356.45 | K | Joback Calculated Property |
| Vc | 0.441 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [272.15; 331.28] | J/mol×K | [560.20; 796.98] | 
|
| Cp,gas | 272.15 | J/mol×K | 560.20 | Joback Calculated Property |
| Cp,gas | 284.06 | J/mol×K | 599.66 | Joback Calculated Property |
| Cp,gas | 295.08 | J/mol×K | 639.13 | Joback Calculated Property |
| Cp,gas | 305.25 | J/mol×K | 678.59 | Joback Calculated Property |
| Cp,gas | 314.64 | J/mol×K | 718.06 | Joback Calculated Property |
| Cp,gas | 323.30 | J/mol×K | 757.52 | Joback Calculated Property |
| Cp,gas | 331.28 | J/mol×K | 796.98 | Joback Calculated Property |
| η | [0.0004590; 0.0025492] | Pa×s | [356.45; 560.20] |
|
| η | 0.0025492 | Pa×s | 356.45 | Joback Calculated Property |
| η | 0.0016917 | Pa×s | 390.41 | Joback Calculated Property |
| η | 0.0011988 | Pa×s | 424.37 | Joback Calculated Property |
| η | 0.0008940 | Pa×s | 458.32 | Joback Calculated Property |
| η | 0.0006942 | Pa×s | 492.28 | Joback Calculated Property |
| η | 0.0005570 | Pa×s | 526.24 | Joback Calculated Property |
| η | 0.0004590 | Pa×s | 560.20 | Joback Calculated Property |
| ΔfusH | 19.44 | kJ/mol | 324.40 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 378.20 | K | 2.00 | NIST |
Similar Compounds
Find more compounds similar to 1,4-Benzodioxan-6-carboxaldehyde.
Sources
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