- InChI
- InChI=1S/C8H9Br/c1-7-4-2-3-5-8(7)6-9/h2-5H,6H2,1H3
- InChI Key
- WGVYCXYGPNNUQA-UHFFFAOYSA-N
- Formula
- C8H9Br
- SMILES
- Cc1ccccc1CBr
- Molecular Weight1
- 185.06
- CAS
- 89-92-9
- Other Names
-
- 1-(Bromomethyl)-2-methylbenzene
- 2-(Bromomethyl)toluene
- 2-Methylbenzyl bromide
- 2-Xylyl bromide
- NSC 60145
- o-(Bromomethyl)toluene
- o-Methylbenzyl bromide
- o-Xylene, «alpha»-bromo-
- o-Xylene, «alpha»-bromo-
- o-Xylyl bromide
- «alpha»-Bromo-o-xylene
- «alpha»-Bromo-ortho-xylene
- «alpha»-Bromo-o-xylene
- «alpha»-Bromo-ortho-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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 (1.0) Calculated Property | |
| ΔfG° | 133.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 36.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.890 | Crippen Calculated Property | |
| McVol | 117.320 | ml/mol | McGowan Calculated Property |
| Pc | 3901.37 | kPa | Joback Calculated Property |
| Tboil | 498.04 | K | Relay (1.0) Calculated Property |
| Tc | 707.22 | K | Relay (1.0) Calculated Property |
| Tfus | 297.07 | K | Relay (1.0) Calculated Property |
| Vc | 0.417 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [212.97; 272.56] | J/mol×K | [480.26; 710.10] | 
|
| Cp,gas | 212.97 | J/mol×K | 480.26 | Joback Calculated Property |
| Cp,gas | 224.69 | J/mol×K | 518.57 | Joback Calculated Property |
| Cp,gas | 235.65 | J/mol×K | 556.87 | Joback Calculated Property |
| Cp,gas | 245.87 | J/mol×K | 595.18 | Joback Calculated Property |
| Cp,gas | 255.40 | J/mol×K | 633.48 | Joback Calculated Property |
| Cp,gas | 264.29 | J/mol×K | 671.79 | Joback Calculated Property |
| Cp,gas | 272.56 | J/mol×K | 710.10 | Joback Calculated Property |
| η | [0.0002886; 0.0021418] | Pa×s | [278.66; 480.26] |
|
| η | 0.0021418 | Pa×s | 278.66 | Joback Calculated Property |
| η | 0.0012813 | Pa×s | 312.26 | Joback Calculated Property |
| η | 0.0008469 | Pa×s | 345.86 | Joback Calculated Property |
| η | 0.0006024 | Pa×s | 379.46 | Joback Calculated Property |
| η | 0.0004529 | Pa×s | 413.06 | Joback Calculated Property |
| η | 0.0003554 | Pa×s | 446.66 | Joback Calculated Property |
| η | 0.0002886 | Pa×s | 480.26 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 489.70 | K | 98.90 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [361.12; 523.70] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.40783e+01 | |||
| Coefficient B | -3.91255e+03 | |||
| Coefficient C | -7.74120e+01 | |||
| Temperature range, min. | 361.12 | |||
| Temperature range, max. | 523.70 | |||
| Pvap | 1.33 | kPa | 361.12 | Calculated Property |
| Pvap | 3.04 | kPa | 379.18 | Calculated Property |
| Pvap | 6.33 | kPa | 397.25 | Calculated Property |
| Pvap | 12.17 | kPa | 415.31 | Calculated Property |
| Pvap | 21.91 | kPa | 433.38 | Calculated Property |
| Pvap | 37.26 | kPa | 451.44 | Calculated Property |
| Pvap | 60.33 | kPa | 469.51 | Calculated Property |
| Pvap | 93.62 | kPa | 487.57 | Calculated Property |
| Pvap | 140.00 | kPa | 505.64 | Calculated Property |
| Pvap | 202.65 | kPa | 523.70 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-(bromomethyl)-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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