- InChI
- InChI=1S/C9H9ClO4/c1-13-6-3-5(4-11)7(10)9(14-2)8(6)12/h3-4,12H,1-2H3
- InChI Key
- GRIHRCLOUQZXPD-UHFFFAOYSA-N
- Formula
- C9H4Cl8O
- SMILES
- COc1cc(C=O)c(Cl)c(OC)c1O
- Molecular Weight1
- 411.75
- CAS
- 76341-69-0
- Other Names
-
- 1,3,4,5,6,7,8,8-Octachloro-2,3,3a,4,7,7a-hexahydro-4,7-methanoisobenzofuran
- 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).
- 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° | -367.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -570.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.83 | kJ/mol | Joback Calculated Property |
| log10WS | -2.19 | Crippen Calculated Property | |
| logPoct/wat | 1.875 | Crippen Calculated Property | |
| McVol | 145.330 | ml/mol | McGowan Calculated Property |
| Pc | 3699.95 | kPa | Joback Calculated Property |
| Tboil | 658.49 | K | Joback Calculated Property |
| Tc | 884.28 | K | Joback Calculated Property |
| Tfus | 483.27 | K | Joback Calculated Property |
| Vc | 0.499 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [345.38; 394.91] | J/mol×K | [658.49; 884.28] | 
|
| Cp,gas | 345.38 | J/mol×K | 658.49 | Joback Calculated Property |
| Cp,gas | 354.84 | J/mol×K | 696.12 | Joback Calculated Property |
| Cp,gas | 363.79 | J/mol×K | 733.75 | Joback Calculated Property |
| Cp,gas | 372.25 | J/mol×K | 771.39 | Joback Calculated Property |
| Cp,gas | 380.24 | J/mol×K | 809.02 | Joback Calculated Property |
| Cp,gas | 387.79 | J/mol×K | 846.65 | Joback Calculated Property |
| Cp,gas | 394.91 | J/mol×K | 884.28 | Joback Calculated Property |
| η | [0.0000225; 0.0002222] | Pa×s | [483.27; 658.49] |
|
| η | 0.0002222 | Pa×s | 483.27 | Joback Calculated Property |
| η | 0.0001361 | Pa×s | 512.47 | Joback Calculated Property |
| η | 0.0000878 | Pa×s | 541.68 | Joback Calculated Property |
| η | 0.0000593 | Pa×s | 570.88 | Joback Calculated Property |
| η | 0.0000416 | Pa×s | 600.08 | Joback Calculated Property |
| η | 0.0000302 | Pa×s | 629.29 | Joback Calculated Property |
| η | 0.0000225 | Pa×s | 658.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzaldehyde, 2-chloro-4-hydroxy-3,5-dimethoxy-.
Sources
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