- InChI
- InChI=1S/C22H45Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h2-22H2,1H3
- InChI Key
- QYOXLKAKUAASNA-UHFFFAOYSA-N
- Formula
- C22H45Br
- SMILES
- CCCCCCCCCCCCCCCCCCCCCCBr
- Molecular Weight1
- 389.50
- CAS
- 6938-66-5
- Other Names
-
- Behenyl bromide
- Docosane, 1-bromo-
- n-Docosyl bromide
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- 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 | 1.0402 | Relay (1.0) Calculated Property | |
| ΔfG° | 148.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -501.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 58.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 127.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.12 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.203 | Crippen Calculated Property | |
| McVol | 338.340 | ml/mol | McGowan Calculated Property |
| Pc | 940.37 | kPa | Joback Calculated Property |
| Tboil | 621.34 | K | Relay (1.0) Calculated Property |
| Tc | 797.88 | K | Relay (1.0) Calculated Property |
| Tfus | [313.20; 317.00] | K |
|
| Tfus | 317.00 | K | NIST |
| Tfus | 313.20 ± 0.60 | K | NIST |
| Vc | 1.345 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1024.13; 1134.98] | J/mol×K | [768.92; 945.29] |
|
| Cp,gas | 1024.13 | J/mol×K | 768.92 | Joback Calculated Property |
| Cp,gas | 1044.89 | J/mol×K | 798.32 | Joback Calculated Property |
| Cp,gas | 1064.68 | J/mol×K | 827.71 | Joback Calculated Property |
| Cp,gas | 1083.54 | J/mol×K | 857.11 | Joback Calculated Property |
| Cp,gas | 1101.51 | J/mol×K | 886.50 | Joback Calculated Property |
| Cp,gas | 1118.65 | J/mol×K | 915.90 | Joback Calculated Property |
| Cp,gas | 1134.98 | J/mol×K | 945.29 | Joback Calculated Property |
| Cp,liquid | [819.00; 819.00] | J/mol×K | [320.00; 330.00] |
|
| Cp,liquid | 819.00 | J/mol×K | 320.00 | Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD |
| Cp,liquid | 819.00 | J/mol×K | 330.00 | Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD |
| η | [0.0000610; 0.0015580] | Pa×s | [397.50; 768.92] |
|
| η | 0.0015580 | Pa×s | 397.50 | Joback Calculated Property |
| η | 0.0006309 | Pa×s | 459.40 | Joback Calculated Property |
| η | 0.0003167 | Pa×s | 521.31 | Joback Calculated Property |
| η | 0.0001840 | Pa×s | 583.21 | Joback Calculated Property |
| η | 0.0001186 | Pa×s | 645.11 | Joback Calculated Property |
| η | 0.0000826 | Pa×s | 707.02 | Joback Calculated Property |
| η | 0.0000610 | Pa×s | 768.92 | Joback Calculated Property |
| ΔfusH | 44.98 | kJ/mol | 317.10 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 498.00 | K | 0.08 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [524.92; 733.17] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.48265e+01 | |||
| Coefficient B | -5.73428e+03 | |||
| Coefficient C | -1.30510e+02 | |||
| Temperature range, min. | 524.92 | |||
| Temperature range, max. | 733.17 | |||
| Pvap | 1.33 | kPa | 524.92 | Calculated Property |
| Pvap | 2.98 | kPa | 548.06 | Calculated Property |
| Pvap | 6.14 | kPa | 571.20 | Calculated Property |
| Pvap | 11.75 | kPa | 594.34 | Calculated Property |
| Pvap | 21.13 | kPa | 617.48 | Calculated Property |
| Pvap | 36.06 | kPa | 640.61 | Calculated Property |
| Pvap | 58.73 | kPa | 663.75 | Calculated Property |
| Pvap | 91.84 | kPa | 686.89 | Calculated Property |
| Pvap | 138.60 | kPa | 710.03 | Calculated Property |
| Pvap | 202.66 | kPa | 733.17 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Bromodocosane.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
- Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
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