- InChI
- InChI=1S/C8H9ClO/c1-6-3-4-8(10-2)7(9)5-6/h3-5H,1-2H3
- InChI Key
- VUZBRBKYGIQXMP-UHFFFAOYSA-N
- Formula
- C8H9ClO
- SMILES
- COc1ccc(C)cc1Cl
- Molecular Weight1
- 156.61
- CAS
- 22002-44-4
- 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).
- 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 | 0.4158 | Relay (... Calculated Property | |
| ΔfG° | -7.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -146.51 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 15.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.54 | kJ/mol | Relay (... Calculated Property |
| IE | 8.14 | eV | Relay (... Calculated Property |
| log10WS | -3.00 | Relay (... Calculated Property | |
| logPoct/wat | 2.657 | Crippen Calculated Property | |
| McVol | 117.930 | ml/mol | McGowan Calculated Property |
| Pc | 3306.75 | kPa | Joback Calculated Property |
| Tboil | 470.97 | K | Relay (... Calculated Property |
| Tc | 701.57 | K | Relay (... Calculated Property |
| Tfus | 289.30 | K | Relay (... Calculated Property |
| Vc | 0.430 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [224.28; 282.59] | J/mol×K | [478.93; 696.56] | 
|
| Cp,gas | 224.28 | J/mol×K | 478.93 | Joback Calculated Property |
| Cp,gas | 235.27 | J/mol×K | 515.20 | Joback Calculated Property |
| Cp,gas | 245.75 | J/mol×K | 551.47 | Joback Calculated Property |
| Cp,gas | 255.72 | J/mol×K | 587.74 | Joback Calculated Property |
| Cp,gas | 265.18 | J/mol×K | 624.02 | Joback Calculated Property |
| Cp,gas | 274.14 | J/mol×K | 660.29 | Joback Calculated Property |
| Cp,gas | 282.59 | J/mol×K | 696.56 | Joback Calculated Property |
| η | [0.0002103; 0.0013423] | Pa×s | [283.53; 478.93] |
|
| η | 0.0013423 | Pa×s | 283.53 | Joback Calculated Property |
| η | 0.0008406 | Pa×s | 316.10 | Joback Calculated Property |
| η | 0.0005745 | Pa×s | 348.66 | Joback Calculated Property |
| η | 0.0004190 | Pa×s | 381.23 | Joback Calculated Property |
| η | 0.0003212 | Pa×s | 413.80 | Joback Calculated Property |
| η | 0.0002559 | Pa×s | 446.36 | Joback Calculated Property |
| η | 0.0002103 | Pa×s | 478.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Chloro-4-methoxytoluene.
Sources
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