- InChI
- InChI=1S/C8H8Br2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6H2
- InChI Key
- OXHOPZLBSSTTBU-UHFFFAOYSA-N
- Formula
- C8H8Br2
- SMILES
- BrCc1cccc(CBr)c1
- Molecular Weight1
- 263.96
- CAS
- 626-15-3
- Other Names
-
- 1,3-Bis(bromomethyl)benzene
- NSC 28040
- alpha,alpha'-Dibromo-m-xylene
- m-(Bromomethyl)benzyl bromide
- m-Bis(bromomethyl)benzene
- m-Xylene, «alpha»,«alpha»'-dibromo-
- m-Xylylene dibromide
- m-«alpha»,«alpha»'-Dibromoxylene
- «alpha»,«alpha»'-Dibromo-1,3-xylene
- «alpha»,«alpha»'-Dibromo-m-xylene
- «alpha»,«alpha»'-Dibromo-meta-xylene
- «alpha»,«alpha»'-m-Xylene dibromide
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- 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 | 0.5300 | Relay (1.0) Calculated Property | |
| ΔfH°gas | 48.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.98 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.476 | Crippen Calculated Property | |
| McVol | 134.820 | ml/mol | McGowan Calculated Property |
| Pc | 4260.71 | kPa | Joback Calculated Property |
| Tboil | 542.14 | K | Relay (1.0) Calculated Property |
| Tc | 755.61 | K | Relay (1.0) Calculated Property |
| Tfus | [350.00; 350.00] | K |
|
| Tfus | 350.00 | K | NIST |
| Tfus | 350.00 ± 1.00 | K | NIST |
| Vc | 0.471 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 23.69 | kJ/mol | 350.20 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [410.70; 432.00] | K | [1.60; 2.70] |
|
| Tboilr | 432.00 ± 1.00 | K | 1.60 | NIST |
| Tboilr | 410.70 | K | 2.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [148.46; 328.63] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -7.60800e+00 | |||
| Coefficient B | 7.01800e-01 | |||
| Coefficient C | -5.18360e-04 | |||
| Coefficient D | 1.52800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 148.46 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 182.56 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 212.02 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 237.30 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 258.91 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 277.32 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 293.01 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 306.47 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 318.19 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 328.63 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0015513; 0.0002822] | Pa×s | [350.00; 554.89] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.10842e+01 | |||
| Coefficient B | 1.61544e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 350.00 | |||
| Temperature range, max. | 554.89 | |||
| η | 0.0015513 | Pa×s | 350.00 | Calculated Property |
| η | 0.0011703 | Pa×s | 372.77 | Calculated Property |
| η | 0.0009119 | Pa×s | 395.53 | Calculated Property |
| η | 0.0007302 | Pa×s | 418.30 | Calculated Property |
| η | 0.0005982 | Pa×s | 441.06 | Calculated Property |
| η | 0.0004998 | Pa×s | 463.83 | Calculated Property |
| η | 0.0004246 | Pa×s | 486.59 | Calculated Property |
| η | 0.0003661 | Pa×s | 509.36 | Calculated Property |
| η | 0.0003196 | Pa×s | 532.12 | Calculated Property |
| η | 0.0002822 | Pa×s | 554.89 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [398.17; 569.52] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.43381e+01 | |||
| Coefficient B | -4.32591e+03 | |||
| Coefficient C | -9.02860e+01 | |||
| Temperature range, min. | 398.17 | |||
| Temperature range, max. | 569.52 | |||
| Pvap | 1.33 | kPa | 398.17 | Calculated Property |
| Pvap | 3.02 | kPa | 417.21 | Calculated Property |
| Pvap | 6.26 | kPa | 436.25 | Calculated Property |
| Pvap | 12.02 | kPa | 455.29 | Calculated Property |
| Pvap | 21.63 | kPa | 474.33 | Calculated Property |
| Pvap | 36.82 | kPa | 493.36 | Calculated Property |
| Pvap | 59.74 | kPa | 512.40 | Calculated Property |
| Pvap | 92.97 | kPa | 531.44 | Calculated Property |
| Pvap | 139.49 | kPa | 550.48 | Calculated Property |
| Pvap | 202.64 | kPa | 569.52 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,3-bis(bromomethyl)-.
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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