- InChI
- InChI=1S/C20H41Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h2-20H2,1H3
- InChI Key
- CZASMUMJSKOHFJ-UHFFFAOYSA-N
- Formula
- C20H41Br
- SMILES
- CCCCCCCCCCCCCCCCCCCCBr
- Molecular Weight1
- 361.44
- CAS
- 4276-49-7
- Other Names
-
- Eicosane, 1-bromo-
- Eicosyl bromide
- N-EICOSYL BROMIDE
- bromoicosane
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.9700 | Relay (1.0) Calculated Property | |
| ΔfG° | 131.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -459.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 117.83 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.81 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.423 | Crippen Calculated Property | |
| McVol | 310.160 | ml/mol | McGowan Calculated Property |
| Pc | 1061.71 | kPa | Joback Calculated Property |
| Inp | [2364.00; 2364.00] |
|
|
| Inp | 2364.00 | NIST | |
| Inp | 2364.00 | NIST | |
| Tboil | 608.82 | K | Relay (1.0) Calculated Property |
| Tc | 784.59 | K | Relay (1.0) Calculated Property |
| Tfus | 309.75 ± 1.00 | K | NIST |
| Vc | 1.234 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [902.08; 1008.65] | J/mol×K | [723.16; 895.45] |
|
| Cp,gas | 902.08 | J/mol×K | 723.16 | Joback Calculated Property |
| Cp,gas | 921.98 | J/mol×K | 751.88 | Joback Calculated Property |
| Cp,gas | 940.97 | J/mol×K | 780.59 | Joback Calculated Property |
| Cp,gas | 959.09 | J/mol×K | 809.31 | Joback Calculated Property |
| Cp,gas | 976.39 | J/mol×K | 838.02 | Joback Calculated Property |
| Cp,gas | 992.90 | J/mol×K | 866.74 | Joback Calculated Property |
| Cp,gas | 1008.65 | J/mol×K | 895.45 | Joback Calculated Property |
| η | [0.0000809; 0.0019498] | Pa×s | [374.96; 723.16] |
|
| η | 0.0019498 | Pa×s | 374.96 | Joback Calculated Property |
| η | 0.0008040 | Pa×s | 432.99 | Joback Calculated Property |
| η | 0.0004087 | Pa×s | 491.03 | Joback Calculated Property |
| η | 0.0002397 | Pa×s | 549.06 | Joback Calculated Property |
| η | 0.0001557 | Pa×s | 607.09 | Joback Calculated Property |
| η | 0.0001091 | Pa×s | 665.13 | Joback Calculated Property |
| η | 0.0000809 | Pa×s | 723.16 | Joback Calculated Property |
| ΔvapH | 79.80 | kJ/mol | 587.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [507.32; 704.07] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.50893e+01 | |||
| Coefficient B | -5.66795e+03 | |||
| Coefficient C | -1.24394e+02 | |||
| Temperature range, min. | 507.32 | |||
| Temperature range, max. | 704.07 | |||
| Pvap | 1.33 | kPa | 507.32 | Calculated Property |
| Pvap | 2.97 | kPa | 529.18 | Calculated Property |
| Pvap | 6.08 | kPa | 551.04 | Calculated Property |
| Pvap | 11.61 | kPa | 572.90 | Calculated Property |
| Pvap | 20.89 | kPa | 594.76 | Calculated Property |
| Pvap | 35.68 | kPa | 616.63 | Calculated Property |
| Pvap | 58.21 | kPa | 638.49 | Calculated Property |
| Pvap | 91.27 | kPa | 660.35 | Calculated Property |
| Pvap | 138.14 | kPa | 682.21 | Calculated Property |
| Pvap | 202.65 | kPa | 704.07 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Bromoeicosane.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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