- InChI
- InChI=1S/C10H13Br/c1-7(2)9-5-4-8(3)6-10(9)11/h4-7H,1-3H3
- InChI Key
- XMIWWDSQSRUTKQ-UHFFFAOYSA-N
- Formula
- C10H13Br
- SMILES
- Cc1ccc(C(C)C)c(Br)c1
- Molecular Weight1
- 213.11
- CAS
- 4478-10-8
- Other Names
-
- 3-Bromo-4-isopropyltoluene
- Thymyl bromide
- p-Cymene, 3-bromo-
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- 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 | 0.3877 | Relay (1.0) Calculated Property | |
| ΔfG° | 138.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -10.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.39 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.881 | Crippen Calculated Property | |
| McVol | 145.500 | ml/mol | McGowan Calculated Property |
| Pc | 3086.42 | kPa | Joback Calculated Property |
| Tboil | 507.25 ± 0.50 | K | NIST |
| Tc | 712.45 | K | Relay (1.0) Calculated Property |
| Tfus | 278.24 | K | Relay (1.0) Calculated Property |
| Vc | 0.524 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [298.50; 370.02] | J/mol×K | [530.56; 758.86] | 
|
| Cp,gas | 298.50 | J/mol×K | 530.56 | Joback Calculated Property |
| Cp,gas | 312.40 | J/mol×K | 568.61 | Joback Calculated Property |
| Cp,gas | 325.46 | J/mol×K | 606.66 | Joback Calculated Property |
| Cp,gas | 337.72 | J/mol×K | 644.71 | Joback Calculated Property |
| Cp,gas | 349.20 | J/mol×K | 682.76 | Joback Calculated Property |
| Cp,gas | 359.96 | J/mol×K | 720.81 | Joback Calculated Property |
| Cp,gas | 370.02 | J/mol×K | 758.86 | Joback Calculated Property |
| η | [0.0002293; 0.0020742] | Pa×s | [298.72; 530.56] |
|
| η | 0.0020742 | Pa×s | 298.72 | Joback Calculated Property |
| η | 0.0011645 | Pa×s | 337.36 | Joback Calculated Property |
| η | 0.0007362 | Pa×s | 376.00 | Joback Calculated Property |
| η | 0.0005069 | Pa×s | 414.64 | Joback Calculated Property |
| η | 0.0003720 | Pa×s | 453.28 | Joback Calculated Property |
| η | 0.0002865 | Pa×s | 491.92 | Joback Calculated Property |
| η | 0.0002293 | Pa×s | 530.56 | Joback Calculated Property |
| ΔvapH | 48.30 | kJ/mol | 455.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [368.04; 539.92] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.60510e+01 | |||
| Coefficient B | -5.79192e+03 | |||
| Coefficient C | -6.09000e-01 | |||
| Temperature range, min. | 368.04 | |||
| Temperature range, max. | 539.92 | |||
| Pvap | 1.33 | kPa | 368.04 | Calculated Property |
| Pvap | 2.91 | kPa | 387.14 | Calculated Property |
| Pvap | 5.88 | kPa | 406.24 | Calculated Property |
| Pvap | 11.18 | kPa | 425.33 | Calculated Property |
| Pvap | 20.10 | kPa | 444.43 | Calculated Property |
| Pvap | 34.44 | kPa | 463.53 | Calculated Property |
| Pvap | 56.54 | kPa | 482.63 | Calculated Property |
| Pvap | 89.38 | kPa | 501.72 | Calculated Property |
| Pvap | 136.62 | kPa | 520.82 | Calculated Property |
| Pvap | 202.65 | kPa | 539.92 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 2-bromo-4-methyl-1-(1-methylethyl)-.
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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