- InChI
- InChI=1S/C12H25Br/c1-3-4-5-6-7-8-9-10-11-12(2)13/h12H,3-11H2,1-2H3
- InChI Key
- GIUUCQVKMWBSRT-UHFFFAOYSA-N
- Formula
- C12H25Br
- SMILES
- CCCCCCCCCCC(C)Br
- Molecular Weight1
- 249.23
- CAS
- 13187-99-0
- Other Names
-
- 2-bromododecane
- Dodecane, 2-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).
- 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).
- Inp : Non-polar retention indices.
- I : 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 |
|---|---|---|---|
| ω | 0.6304 | Relay (1.0) Calculated Property | |
| ΔfG° | 62.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -289.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.81 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.301 | Crippen Calculated Property | |
| McVol | 197.440 | ml/mol | McGowan Calculated Property |
| Pc | 1901.92 | kPa | Joback Calculated Property |
| Inp | 1505.00 | NIST | |
| I | [1702.00; 1702.00] |
|
|
| I | 1702.00 | NIST | |
| I | 1702.00 | NIST | |
| Tboil | 534.97 | K | Relay (1.0) Calculated Property |
| Tc | 711.30 | K | Relay (1.0) Calculated Property |
| Tfus | 263.12 | K | Relay (1.0) Calculated Property |
| Vc | 0.759 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [460.64; 549.69] | J/mol×K | [539.68; 717.63] |
|
| Cp,gas | 460.64 | J/mol×K | 539.68 | Joback Calculated Property |
| Cp,gas | 477.25 | J/mol×K | 569.34 | Joback Calculated Property |
| Cp,gas | 493.12 | J/mol×K | 599.00 | Joback Calculated Property |
| Cp,gas | 508.27 | J/mol×K | 628.65 | Joback Calculated Property |
| Cp,gas | 522.73 | J/mol×K | 658.31 | Joback Calculated Property |
| Cp,gas | 536.53 | J/mol×K | 687.97 | Joback Calculated Property |
| Cp,gas | 549.69 | J/mol×K | 717.63 | Joback Calculated Property |
| η | [0.0002041; 0.0053574] | Pa×s | [269.80; 539.68] |
|
| η | 0.0053574 | Pa×s | 269.80 | Joback Calculated Property |
| η | 0.0021059 | Pa×s | 314.78 | Joback Calculated Property |
| η | 0.0010455 | Pa×s | 359.76 | Joback Calculated Property |
| η | 0.0006065 | Pa×s | 404.74 | Joback Calculated Property |
| η | 0.0003923 | Pa×s | 449.72 | Joback Calculated Property |
| η | 0.0002747 | Pa×s | 494.70 | Joback Calculated Property |
| η | 0.0002041 | Pa×s | 539.68 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 400.50 ± 2.50 | K | 1.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [411.24; 573.75] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.52116e+01 | |||
| Coefficient B | -4.77916e+03 | |||
| Coefficient C | -9.10060e+01 | |||
| Temperature range, min. | 411.24 | |||
| Temperature range, max. | 573.75 | |||
| Pvap | 1.33 | kPa | 411.24 | Calculated Property |
| Pvap | 2.96 | kPa | 429.30 | Calculated Property |
| Pvap | 6.05 | kPa | 447.35 | Calculated Property |
| Pvap | 11.55 | kPa | 465.41 | Calculated Property |
| Pvap | 20.78 | kPa | 483.47 | Calculated Property |
| Pvap | 35.51 | kPa | 501.52 | Calculated Property |
| Pvap | 57.99 | kPa | 519.58 | Calculated Property |
| Pvap | 91.02 | kPa | 537.64 | Calculated Property |
| Pvap | 137.95 | kPa | 555.69 | Calculated Property |
| Pvap | 202.67 | kPa | 573.75 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Bromo dodecane.
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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