- InChI
- InChI=1S/C9H11Br/c1-7-3-8(2)5-9(4-7)6-10/h3-5H,6H2,1-2H3
- InChI Key
- QXDHXCVJGBTQMK-UHFFFAOYSA-N
- Formula
- C9H11Br
- SMILES
- Cc1cc(C)cc(CBr)c1
- Molecular Weight1
- 199.09
- CAS
- 27129-86-8
- Other Names
-
- 1-(Bromomethyl)-3,5-dimethylbenzene
- 3,5-Dimethylbenzyl bromide
- Benzene, 1-(bromomethyl)-3,5-dimethyl-
- alpha-Bromomesitylene
- 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 | 0.4839 | Relay (1.0) Calculated Property | |
| ΔfG° | 132.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 1.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.64 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.76 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.198 | Crippen Calculated Property | |
| McVol | 131.410 | ml/mol | McGowan Calculated Property |
| Pc | 3411.87 | kPa | Joback Calculated Property |
| Tboil | 509.03 | K | Relay (1.0) Calculated Property |
| Tc | 719.28 | K | Relay (1.0) Calculated Property |
| Tfus | 307.05 | K | Relay (1.0) Calculated Property |
| Vc | 0.480 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 382.50 ± 1.50 | K | 2.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [158.24; 368.11] | 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 | -2.40900e+00 | |||
| Coefficient B | 6.99140e-01 | |||
| Coefficient C | -4.34320e-04 | |||
| Coefficient D | 1.05700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 158.24 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 195.25 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 228.06 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 257.01 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 282.41 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 304.62 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 323.95 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 340.76 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 355.37 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 368.11 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0016421; 0.0002521] | Pa×s | [302.45; 514.89] |
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 | -1.09532e+01 | |||
| Coefficient B | 1.37356e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 302.45 | |||
| Temperature range, max. | 514.89 | |||
| η | 0.0016421 | Pa×s | 302.45 | Calculated Property |
| η | 0.0011820 | Pa×s | 326.05 | Calculated Property |
| η | 0.0008894 | Pa×s | 349.66 | Calculated Property |
| η | 0.0006938 | Pa×s | 373.26 | Calculated Property |
| η | 0.0005574 | Pa×s | 396.87 | Calculated Property |
| η | 0.0004590 | Pa×s | 420.47 | Calculated Property |
| η | 0.0003858 | Pa×s | 444.08 | Calculated Property |
| η | 0.0003300 | Pa×s | 467.68 | Calculated Property |
| η | 0.0002866 | Pa×s | 491.29 | Calculated Property |
| η | 0.0002521 | Pa×s | 514.89 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [371.52; 530.46] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.44935e+01 | |||
| Coefficient B | -4.12674e+03 | |||
| Coefficient C | -8.10260e+01 | |||
| Temperature range, min. | 371.52 | |||
| Temperature range, max. | 530.46 | |||
| Pvap | 1.33 | kPa | 371.52 | Calculated Property |
| Pvap | 3.01 | kPa | 389.18 | Calculated Property |
| Pvap | 6.22 | kPa | 406.84 | Calculated Property |
| Pvap | 11.93 | kPa | 424.50 | Calculated Property |
| Pvap | 21.46 | kPa | 442.16 | Calculated Property |
| Pvap | 36.57 | kPa | 459.82 | Calculated Property |
| Pvap | 59.41 | kPa | 477.48 | Calculated Property |
| Pvap | 92.60 | kPa | 495.14 | Calculated Property |
| Pvap | 139.20 | kPa | 512.80 | Calculated Property |
| Pvap | 202.64 | kPa | 530.46 | Calculated Property |
Similar Compounds
Find more compounds similar to «alpha»-Bromomesitylene.
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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