- InChI
- InChI=1S/C17H35Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h2-17H2,1H3
- InChI Key
- HHSDZLLPIXMEIU-UHFFFAOYSA-N
- Formula
- C17H35Br
- SMILES
- CCCCCCCCCCCCCCCCCBr
- Molecular Weight1
- 319.36
- CAS
- 3508-00-7
- Other Names
-
- 1-Bromoheptadecane
- Heptadecyl bromide
- n-Heptadecyl 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).
- 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 | 0.8645 | Relay (1.0) Calculated Property | |
| ΔfG° | 106.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -396.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.64 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.96 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.253 | Crippen Calculated Property | |
| McVol | 267.890 | ml/mol | McGowan Calculated Property |
| Pc | 1293.00 | kPa | Joback Calculated Property |
| Inp | 2059.00 | NIST | |
| Tboil | 589.97 | K | Relay (1.0) Calculated Property |
| Tc | 763.28 | K | Relay (1.0) Calculated Property |
| Tfus | 305.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 1.065 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 71.60 | kJ/mol | 572.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [380.10; 905.45] | 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 | -4.37400e+00 | |||
| Coefficient B | 1.65702e+00 | |||
| Coefficient C | -9.72400e-04 | |||
| Coefficient D | 2.25200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 380.10 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 470.11 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 550.55 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 622.12 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 685.56 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 741.55 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 790.83 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 834.10 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 872.06 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 905.45 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0056259; 0.0001888] | Pa×s | [305.15; 577.58] |
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 | -1.23766e+01 | |||
| Coefficient B | 2.19594e+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. | 305.15 | |||
| Temperature range, max. | 577.58 | |||
| η | 0.0056259 | Pa×s | 305.15 | Calculated Property |
| η | 0.0029386 | Pa×s | 335.42 | Calculated Property |
| η | 0.0017092 | Pa×s | 365.69 | Calculated Property |
| η | 0.0010800 | Pa×s | 395.96 | Calculated Property |
| η | 0.0007284 | Pa×s | 426.23 | Calculated Property |
| η | 0.0005176 | Pa×s | 456.50 | Calculated Property |
| η | 0.0003838 | Pa×s | 486.77 | Calculated Property |
| η | 0.0002947 | Pa×s | 517.04 | Calculated Property |
| η | 0.0002330 | Pa×s | 547.31 | Calculated Property |
| η | 0.0001888 | Pa×s | 577.58 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [477.72; 657.80] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.54558e+01 | |||
| Coefficient B | -5.51533e+03 | |||
| Coefficient C | -1.14108e+02 | |||
| Temperature range, min. | 477.72 | |||
| Temperature range, max. | 657.80 | |||
| Pvap | 1.33 | kPa | 477.72 | Calculated Property |
| Pvap | 2.94 | kPa | 497.73 | Calculated Property |
| Pvap | 6.00 | kPa | 517.74 | Calculated Property |
| Pvap | 11.44 | kPa | 537.75 | Calculated Property |
| Pvap | 20.57 | kPa | 557.76 | Calculated Property |
| Pvap | 35.18 | kPa | 577.76 | Calculated Property |
| Pvap | 57.54 | kPa | 597.77 | Calculated Property |
| Pvap | 90.52 | kPa | 617.78 | Calculated Property |
| Pvap | 137.54 | kPa | 637.79 | Calculated Property |
| Pvap | 202.66 | kPa | 657.80 | Calculated Property |
Similar Compounds
Find more compounds similar to Heptadecane, 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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