- InChI
- InChI=1S/C7H6Cl2O/c1-10-5-2-3-6(8)7(9)4-5/h2-4H,1H3
- InChI Key
- VISJRVXHPNMYRH-UHFFFAOYSA-N
- Formula
- C7H6Cl2O
- SMILES
- COc1ccc(Cl)c(Cl)c1
- Molecular Weight1
- 177.03
- CAS
- 36404-30-5
- Other Names
-
- 3,4-Dichloroanizole
- 3,4-Dichlorophenol, methyl ether
- Benzene, 1,2-dichloro-4-methoxy
- 1,2-Dichloro-4-methoxybenzene
- 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° | -27.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -137.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.96 | kJ/mol | Joback Calculated Property |
| log10WS | -2.96 | Crippen Calculated Property | |
| logPoct/wat | 3.002 | Crippen Calculated Property | |
| McVol | 116.080 | ml/mol | McGowan Calculated Property |
| Pc | 3543.08 | kPa | Joback Calculated Property |
| Inp | [1246.00; 1310.90] |
|
|
| Inp | 1275.00 | NIST | |
| Inp | 1285.00 | NIST | |
| Inp | 1298.00 | NIST | |
| Inp | 1281.00 | NIST | |
| Inp | 1259.00 | NIST | |
| Inp | 1271.00 | NIST | |
| Inp | 1310.90 | NIST | |
| Inp | 1307.50 | NIST | |
| Inp | 1253.00 | NIST | |
| Inp | 1246.00 | NIST | |
| Inp | 1310.90 | NIST | |
| I | [1846.00; 1900.00] |
|
|
| I | 1878.00 | NIST | |
| I | 1899.00 | NIST | |
| I | 1900.00 | NIST | |
| I | 1864.00 | NIST | |
| I | 1846.00 | NIST | |
| I | 1862.00 | NIST | |
| Tboil | 493.48 | K | Joback Calculated Property |
| Tc | 720.45 | K | Joback Calculated Property |
| Tfus | 302.18 | K | Joback Calculated Property |
| Vc | 0.435 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [206.95; 254.69] | J/mol×K | [493.48; 720.45] |
|
| Cp,gas | 206.95 | J/mol×K | 493.48 | Joback Calculated Property |
| Cp,gas | 216.08 | J/mol×K | 531.31 | Joback Calculated Property |
| Cp,gas | 224.74 | J/mol×K | 569.14 | Joback Calculated Property |
| Cp,gas | 232.93 | J/mol×K | 606.96 | Joback Calculated Property |
| Cp,gas | 240.65 | J/mol×K | 644.79 | Joback Calculated Property |
| Cp,gas | 247.90 | J/mol×K | 682.62 | Joback Calculated Property |
| Cp,gas | 254.69 | J/mol×K | 720.45 | Joback Calculated Property |
| η | [0.0002335; 0.0013457] | Pa×s | [302.18; 493.48] |
|
| η | 0.0013457 | Pa×s | 302.18 | Joback Calculated Property |
| η | 0.0008743 | Pa×s | 334.06 | Joback Calculated Property |
| η | 0.0006124 | Pa×s | 365.95 | Joback Calculated Property |
| η | 0.0004541 | Pa×s | 397.83 | Joback Calculated Property |
| η | 0.0003521 | Pa×s | 429.71 | Joback Calculated Property |
| η | 0.0002827 | Pa×s | 461.60 | Joback Calculated Property |
| η | 0.0002335 | Pa×s | 493.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,4-Dichloroanisole.
Sources
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