- InChI
- InChI=1S/C8H9ClO2/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5H,1-2H3
- InChI Key
- RXJCXGJKJZARAW-UHFFFAOYSA-N
- Formula
- C8H9ClO2
- SMILES
- COc1ccc(Cl)cc1OC
- Molecular Weight1
- 172.61
- CAS
- 16766-27-1
- Other Names
-
- 4-Chloroveratrole
- 4-Chloro-1,2-dimethoxybenzene
- 4-Chloro-2-methoxyphenol, methyl ether
- Benzene, 4-chloro-1,2-dimethoxy
- 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).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- 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° | -112.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -275.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.21 | kJ/mol | Joback Calculated Property |
| log10WS | -2.40 | Crippen Calculated Property | |
| logPoct/wat | 2.357 | Crippen Calculated Property | |
| McVol | 123.800 | ml/mol | McGowan Calculated Property |
| Pc | 3243.03 | kPa | Joback Calculated Property |
| Inp | [1300.00; 1335.30] |
|
|
| Inp | 1307.00 | NIST | |
| Inp | 1301.00 | NIST | |
| Inp | 1300.00 | NIST | |
| Inp | 1318.00 | NIST | |
| Inp | 1307.00 | NIST | |
| Inp | 1335.30 | NIST | |
| I | [1951.00; 1994.00] |
|
|
| I | 1951.00 | NIST | |
| I | 1959.00 | NIST | |
| I | 1975.00 | NIST | |
| I | 1994.00 | NIST | |
| I | 1959.00 | NIST | |
| Tboil | 501.35 | K | Joback Calculated Property |
| Tc | 716.87 | K | Joback Calculated Property |
| Tfus | 305.76 | K | Joback Calculated Property |
| Vc | 0.461 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [245.94; 304.15] | J/mol×K | [501.35; 716.87] |
|
| Cp,gas | 245.94 | J/mol×K | 501.35 | Joback Calculated Property |
| Cp,gas | 256.80 | J/mol×K | 537.27 | Joback Calculated Property |
| Cp,gas | 267.21 | J/mol×K | 573.19 | Joback Calculated Property |
| Cp,gas | 277.16 | J/mol×K | 609.11 | Joback Calculated Property |
| Cp,gas | 286.64 | J/mol×K | 645.03 | Joback Calculated Property |
| Cp,gas | 295.64 | J/mol×K | 680.95 | Joback Calculated Property |
| Cp,gas | 304.15 | J/mol×K | 716.87 | Joback Calculated Property |
| η | [0.0001783; 0.0010775] | Pa×s | [305.76; 501.35] |
|
| η | 0.0010775 | Pa×s | 305.76 | Joback Calculated Property |
| η | 0.0006910 | Pa×s | 338.36 | Joback Calculated Property |
| η | 0.0004791 | Pa×s | 370.96 | Joback Calculated Property |
| η | 0.0003524 | Pa×s | 403.56 | Joback Calculated Property |
| η | 0.0002714 | Pa×s | 436.15 | Joback Calculated Property |
| η | 0.0002168 | Pa×s | 468.75 | Joback Calculated Property |
| η | 0.0001783 | Pa×s | 501.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Dimethoxy-4-chloro-benzene.
Sources
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