- InChI
- InChI=1S/C10H13Br/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7H,1-3H3
- InChI Key
- SPQXEZCUUYJJQL-UHFFFAOYSA-N
- Formula
- C10H13Br
- SMILES
- Cc1ccc(C(C)C)cc1Br
- Molecular Weight1
- 213.11
- CAS
- 2437-76-5
- Other Names
-
- Benzene, 2-bromo-1-methyl-4-(1-methylethyl)-
- 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).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 138.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -15.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.50 | kJ/mol | Joback Calculated Property |
| log10WS | -4.30 | Crippen 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 | [507.45; 507.50] | K |
|
| Tboil | 507.50 | K | NIST |
| Tboil | 507.45 ± 0.50 | K | NIST |
| Tc | 758.86 | K | Joback Calculated Property |
| Tfus | 298.72 | K | Joback Calculated Property |
| Vc | 0.543 | m3/kmol | Joback 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 | 50.20 | kJ/mol | 455.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 372.20 | K | 1.00 | NIST |
Similar Compounds
Find more compounds similar to 2-Bromo-p-cymene.
Sources
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