- InChI
- InChI=1S/C15H31Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h2-15H2,1H3
- InChI Key
- JKOTZBXSNOGCIF-UHFFFAOYSA-N
- Formula
- C15H31Br
- SMILES
- CCCCCCCCCCCCCCCBr
- Molecular Weight1
- 291.31
- CAS
- 629-72-1
- Other Names
-
- 1-Bromopentadecane
- Pentadecyl bromide
- n-Pentadecyl 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.
- 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 | 0.7940 | Relay (1.0) Calculated Property | |
| ΔfG° | 89.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -354.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.90 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.473 | Crippen Calculated Property | |
| McVol | 239.710 | ml/mol | McGowan Calculated Property |
| Pc | 1491.89 | kPa | Joback Calculated Property |
| Inp | [1854.00; 1854.00] |
|
|
| Inp | 1854.00 | NIST | |
| Inp | 1854.00 | NIST | |
| Tboil | 595.20 | K | NIST |
| Tc | 747.19 | K | Relay (1.0) Calculated Property |
| Tfus | [291.70; 292.15] | K |
|
| Tfus | 292.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 291.70 ± 0.30 | K | NIST |
| Vc | 0.952 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 69.50 | kJ/mol | 555.50 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 432.70 | K | 0.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [337.67; 802.26] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -2.55600e+00 | |||
| Coefficient B | 1.46702e+00 | |||
| Coefficient C | -8.63600e-04 | |||
| Coefficient D | 2.01400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 337.67 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 417.27 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 488.39 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 551.67 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 607.73 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 657.23 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 700.80 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 739.07 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 772.68 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 802.26 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0055530; 0.0002261] | Pa×s | [291.92; 546.14] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.20706e+01 | |||
| Coefficient B | 2.00762e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 291.92 | |||
| Temperature range, max. | 546.14 | |||
| η | 0.0055530 | Pa×s | 291.92 | Calculated Property |
| η | 0.0030272 | Pa×s | 320.17 | Calculated Property |
| η | 0.0018208 | Pa×s | 348.42 | Calculated Property |
| η | 0.0011820 | Pa×s | 376.66 | Calculated Property |
| η | 0.0008149 | Pa×s | 404.91 | Calculated Property |
| η | 0.0005898 | Pa×s | 433.16 | Calculated Property |
| η | 0.0004441 | Pa×s | 461.40 | Calculated Property |
| η | 0.0003455 | Pa×s | 489.65 | Calculated Property |
| η | 0.0002763 | Pa×s | 517.90 | Calculated Property |
| η | 0.0002261 | Pa×s | 546.14 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [456.12; 628.43] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.55018e+01 | |||
| Coefficient B | -5.31764e+03 | |||
| Coefficient C | -1.06602e+02 | |||
| Temperature range, min. | 456.12 | |||
| Temperature range, max. | 628.43 | |||
| Pvap | 1.33 | kPa | 456.12 | Calculated Property |
| Pvap | 2.94 | kPa | 475.27 | Calculated Property |
| Pvap | 5.99 | kPa | 494.41 | Calculated Property |
| Pvap | 11.41 | kPa | 513.56 | Calculated Property |
| Pvap | 20.53 | kPa | 532.70 | Calculated Property |
| Pvap | 35.12 | kPa | 551.85 | Calculated Property |
| Pvap | 57.46 | kPa | 570.99 | Calculated Property |
| Pvap | 90.42 | kPa | 590.14 | Calculated Property |
| Pvap | 137.45 | kPa | 609.28 | Calculated Property |
| Pvap | 202.63 | kPa | 628.43 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentadecane, 1-bromo-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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