- InChI
- InChI=1S/C8H9Cl/c1-7-4-2-3-5-8(7)6-9/h2-5H,6H2,1H3
- InChI Key
- VQRBXYBBGHOGFT-UHFFFAOYSA-N
- Formula
- C8H9Cl
- SMILES
- Cc1ccccc1CCl
- Molecular Weight1
- 140.61
- CAS
- 552-45-4
- Other Names
-
- 1-(Chloromethyl)-2-methylbenzene
- 2-(Chloromethyl)toluene
- 2-Methylbenzyl chloride
- o-(Chloromethyl)toluene
- o-Methylbenzyl chloride
- o-Xylene, «alpha»-chloro-
- o-Xylene, «alpha»-chloro-
- o-Xylyl chloride
- o-Xylyl-«alpha»-chloride
- o-Xylyl-«alpha»-chloride
- «alpha»-Chloro-o-xylene
- «alpha»-Chloro-ortho-xylene
- «omega»-Chloro-o-xylene
- «alpha»-Chloro-o-xylene
- «alpha»-Chloro-ortho-xylene
- «omega»-Chloro-o-xylene
- 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).
- Pvap : Vapor pressure (kPa).
- Inp : Non-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 |
|---|---|---|---|
| ω | 0.3453 | Relay (1.0) Calculated Property | |
| ΔfG° | 107.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -18.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.93 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.734 | Crippen Calculated Property | |
| McVol | 112.060 | ml/mol | McGowan Calculated Property |
| Pc | 3431.89 | kPa | Joback Calculated Property |
| Inp | [1098.00; 1105.00] |
|
|
| Inp | 1098.00 | NIST | |
| Inp | 1105.00 | NIST | |
| Tboil | 471.20 | K | NIST |
| Tc | 699.94 | K | Relay (1.0) Calculated Property |
| Tfus | 268.21 | K | Relay (1.0) Calculated Property |
| Vc | 0.401 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [202.26; 262.83] | J/mol×K | [451.53; 669.70] |
|
| Cp,gas | 202.26 | J/mol×K | 451.53 | Joback Calculated Property |
| Cp,gas | 213.97 | J/mol×K | 487.89 | Joback Calculated Property |
| Cp,gas | 225.00 | J/mol×K | 524.25 | Joback Calculated Property |
| Cp,gas | 235.38 | J/mol×K | 560.62 | Joback Calculated Property |
| Cp,gas | 245.12 | J/mol×K | 596.98 | Joback Calculated Property |
| Cp,gas | 254.26 | J/mol×K | 633.34 | Joback Calculated Property |
| Cp,gas | 262.83 | J/mol×K | 669.70 | Joback Calculated Property |
| η | [0.0002545; 0.0022898] | Pa×s | [248.78; 451.53] |
|
| η | 0.0022898 | Pa×s | 248.78 | Joback Calculated Property |
| η | 0.0012755 | Pa×s | 282.57 | Joback Calculated Property |
| η | 0.0008051 | Pa×s | 316.36 | Joback Calculated Property |
| η | 0.0005554 | Pa×s | 350.15 | Joback Calculated Property |
| η | 0.0004090 | Pa×s | 383.95 | Joback Calculated Property |
| η | 0.0003165 | Pa×s | 417.74 | Joback Calculated Property |
| η | 0.0002545 | Pa×s | 451.53 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [346.92; 502.34] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.41938e+01 | |||
| Coefficient B | -3.82130e+03 | |||
| Coefficient C | -7.21300e+01 | |||
| Temperature range, min. | 346.92 | |||
| Temperature range, max. | 502.34 | |||
| Pvap | 1.33 | kPa | 346.92 | Calculated Property |
| Pvap | 3.03 | kPa | 364.19 | Calculated Property |
| Pvap | 6.30 | kPa | 381.46 | Calculated Property |
| Pvap | 12.10 | kPa | 398.73 | Calculated Property |
| Pvap | 21.78 | kPa | 416.00 | Calculated Property |
| Pvap | 37.06 | kPa | 433.26 | Calculated Property |
| Pvap | 60.06 | kPa | 450.53 | Calculated Property |
| Pvap | 93.33 | kPa | 467.80 | Calculated Property |
| Pvap | 139.77 | kPa | 485.07 | Calculated Property |
| Pvap | 202.64 | kPa | 502.34 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-(chloromethyl)-2-methyl-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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