- InChI
- InChI=1S/C10H17Br/c1-9(2)5-4-6-10(3)7-8-11/h5,7H,4,6,8H2,1-3H3/b10-7+
- InChI Key
- JSCUZAYKVZXKQE-JXMROGBWSA-N
- Formula
- C10H17Br
- SMILES
- CC(C)=CCCC(C)=CCBr
- Molecular Weight1
- 217.15
- CAS
- 6138-90-5
- Other Names
-
- 2,6-Octadiene, 1-bromo-3,7-dimethyl-, (E)-
- (2E)-1-Bromo-3,7-dimethyl-2,6-octadiene
- trans-Geranyl bromide
- 2,6-Octadiene, 1-bromo-3,7-dimethyl-, (2E)-
- (E)-1-bromo-3,7-dimethylocta-2,6-diene
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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).
- Inp : Non-polar retention indices.
- 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° | 190.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -8.54 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.37 | kJ/mol | Joback Calculated Property |
| log10WS | -4.15 | Crippen Calculated Property | |
| logPoct/wat | 4.074 | Crippen Calculated Property | |
| McVol | 160.660 | ml/mol | McGowan Calculated Property |
| Pc | 2512.55 | kPa | Joback Calculated Property |
| Inp | 1282.00 | NIST | |
| Tboil | 502.44 | K | Joback Calculated Property |
| Tc | 703.93 | K | Joback Calculated Property |
| Tfus | 224.18 | K | Joback Calculated Property |
| Vc | 0.620 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [330.35; 405.94] | J/mol×K | [502.44; 703.93] | 
|
| Cp,gas | 330.35 | J/mol×K | 502.44 | Joback Calculated Property |
| Cp,gas | 344.90 | J/mol×K | 536.02 | Joback Calculated Property |
| Cp,gas | 358.59 | J/mol×K | 569.60 | Joback Calculated Property |
| Cp,gas | 371.49 | J/mol×K | 603.18 | Joback Calculated Property |
| Cp,gas | 383.64 | J/mol×K | 636.77 | Joback Calculated Property |
| Cp,gas | 395.11 | J/mol×K | 670.35 | Joback Calculated Property |
| Cp,gas | 405.94 | J/mol×K | 703.93 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 374.70 | K | 1.60 | NIST |
Similar Compounds
Find more compounds similar to Geranyl bromide.
Sources
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