- InChI
- InChI=1S/C13H27Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-13H2,1H3
- InChI Key
- BFDNZQUBFCYTIC-UHFFFAOYSA-N
- Formula
- C13H27Br
- SMILES
- CCCCCCCCCCCCCBr
- Molecular Weight1
- 263.26
- CAS
- 765-09-3
- Other Names
-
- 1-Bromotridecane
- Tridecyl bromide
- n-Tridecyl bromide
- n-Tridecyl-1-bromide
- 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.
- 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 | 0.7235 | Relay (1.0) Calculated Property | |
| ΔfG° | 72.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -311.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 34.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.85 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.692 | Crippen Calculated Property | |
| McVol | 211.530 | ml/mol | McGowan Calculated Property |
| Pc | 1740.46 | kPa | Joback Calculated Property |
| Inp | [1651.00; 1658.00] |
|
|
| Inp | 1652.00 | NIST | |
| Inp | 1651.00 | NIST | |
| Inp | 1658.00 | NIST | |
| Inp | 1652.00 | NIST | |
| Inp | 1658.00 | NIST | |
| Inp | 1651.00 | NIST | |
| I | [1900.00; 1905.00] |
|
|
| I | 1905.00 | NIST | |
| I | 1900.00 | NIST | |
| Tboil | 556.52 | K | Relay (1.0) Calculated Property |
| Tc | 726.87 | K | Relay (1.0) Calculated Property |
| Tfus | 279.10 ± 0.30 | K | NIST |
| Vc | 0.834 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [510.67; 601.20] | J/mol×K | [563.00; 736.25] |
|
| Cp,gas | 510.67 | J/mol×K | 563.00 | Joback Calculated Property |
| Cp,gas | 527.50 | J/mol×K | 591.88 | Joback Calculated Property |
| Cp,gas | 543.61 | J/mol×K | 620.75 | Joback Calculated Property |
| Cp,gas | 559.00 | J/mol×K | 649.63 | Joback Calculated Property |
| Cp,gas | 573.71 | J/mol×K | 678.50 | Joback Calculated Property |
| Cp,gas | 587.77 | J/mol×K | 707.38 | Joback Calculated Property |
| Cp,gas | 601.20 | J/mol×K | 736.25 | Joback Calculated Property |
| η | [0.0001950; 0.0035921] | Pa×s | [296.07; 563.00] |
|
| η | 0.0035921 | Pa×s | 296.07 | Joback Calculated Property |
| η | 0.0016097 | Pa×s | 340.56 | Joback Calculated Property |
| η | 0.0008683 | Pa×s | 385.05 | Joback Calculated Property |
| η | 0.0005323 | Pa×s | 429.54 | Joback Calculated Property |
| η | 0.0003577 | Pa×s | 474.02 | Joback Calculated Property |
| η | 0.0002573 | Pa×s | 518.51 | Joback Calculated Property |
| η | 0.0001950 | Pa×s | 563.00 | Joback Calculated Property |
| ΔvapH | 64.60 | kJ/mol | 526.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | [421.00; 422.20] | K | [1.30; 1.30] |
|
| Tboilr | 422.20 | K | 1.30 | NIST |
| Tboilr | 421.00 | K | 1.30 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [432.12; 589.50] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.59689e+01 | |||
| Coefficient B | -5.23534e+03 | |||
| Coefficient C | -9.82620e+01 | |||
| Temperature range, min. | 432.12 | |||
| Temperature range, max. | 589.50 | |||
| Pvap | 1.33 | kPa | 432.12 | Calculated Property |
| Pvap | 2.91 | kPa | 449.61 | Calculated Property |
| Pvap | 5.90 | kPa | 467.09 | Calculated Property |
| Pvap | 11.21 | kPa | 484.58 | Calculated Property |
| Pvap | 20.16 | kPa | 502.07 | Calculated Property |
| Pvap | 34.54 | kPa | 519.55 | Calculated Property |
| Pvap | 56.67 | kPa | 537.04 | Calculated Property |
| Pvap | 89.53 | kPa | 554.53 | Calculated Property |
| Pvap | 136.74 | kPa | 572.01 | Calculated Property |
| Pvap | 202.65 | kPa | 589.50 | Calculated Property |
Similar Compounds
Find more compounds similar to Tridecane, 1-bromo-.
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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