- 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° | 100.51 | 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 | 761.24 | K | Relay (1.0) Calculated Property |
| Tfus | 306.10 | K | Relay (1.0) Calculated Property |
| Vc | 1.064 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [726.75; 827.21] | J/mol×K | [654.52; 824.86] | 
|
| Cp,gas | 726.75 | J/mol×K | 654.52 | Joback Calculated Property |
| Cp,gas | 745.45 | J/mol×K | 682.91 | Joback Calculated Property |
| Cp,gas | 763.33 | J/mol×K | 711.30 | Joback Calculated Property |
| Cp,gas | 780.41 | J/mol×K | 739.69 | Joback Calculated Property |
| Cp,gas | 796.73 | J/mol×K | 768.08 | Joback Calculated Property |
| Cp,gas | 812.32 | J/mol×K | 796.47 | Joback Calculated Property |
| Cp,gas | 827.21 | J/mol×K | 824.86 | Joback Calculated Property |
| η | [0.0001208; 0.0026326] | Pa×s | [341.15; 654.52] |
|
| η | 0.0026326 | Pa×s | 341.15 | Joback Calculated Property |
| η | 0.0011200 | Pa×s | 393.38 | Joback Calculated Property |
| η | 0.0005822 | Pa×s | 445.61 | Joback Calculated Property |
| η | 0.0003472 | Pa×s | 497.83 | Joback Calculated Property |
| η | 0.0002284 | Pa×s | 550.06 | Joback Calculated Property |
| η | 0.0001616 | Pa×s | 602.29 | Joback Calculated Property |
| η | 0.0001208 | Pa×s | 654.52 | Joback Calculated Property |
| ΔvapH | 71.60 | kJ/mol | 572.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [477.72; 657.80] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| 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
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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