- InChI
- InChI=1S/C19H39Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20/h2-19H2,1H3
- InChI Key
- GWESGLGUMMNXDU-UHFFFAOYSA-N
- Formula
- C19H39Br
- SMILES
- CCCCCCCCCCCCCCCCCCCBr
- Molecular Weight1
- 347.42
- CAS
- 4434-66-6
- Other Names
-
- 1-Bromononadecane
- Nonadecyl 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).
- 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 | 0.9349 | Relay (1.0) Calculated Property | |
| ΔfG° | 123.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -438.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.02 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.033 | Crippen Calculated Property | |
| McVol | 296.070 | ml/mol | McGowan Calculated Property |
| Pc | 1131.38 | kPa | Joback Calculated Property |
| Tboil | 602.55 | K | Relay (1.0) Calculated Property |
| Tc | 777.72 | K | Relay (1.0) Calculated Property |
| Tfus | 310.90 ± 4.00 | K | NIST |
| Vc | 1.178 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 77.90 | kJ/mol | 583.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [422.53; 1008.63] | 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 | -6.19200e+00 | |||
| Coefficient B | 1.84702e+00 | |||
| Coefficient C | -1.08120e-03 | |||
| Coefficient D | 2.49000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 422.53 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 522.95 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 612.70 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 692.58 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 763.38 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 825.88 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 880.86 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 929.12 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 971.45 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1008.63 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0065943; 0.0001533] | Pa×s | [310.90; 610.17] |
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 | -1.26905e+01 | |||
| Coefficient B | 2.38426e+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. | 310.90 | |||
| Temperature range, max. | 610.17 | |||
| η | 0.0065943 | Pa×s | 310.90 | Calculated Property |
| η | 0.0031431 | Pa×s | 344.15 | Calculated Property |
| η | 0.0017071 | Pa×s | 377.40 | Calculated Property |
| η | 0.0010235 | Pa×s | 410.66 | Calculated Property |
| η | 0.0006626 | Pa×s | 443.91 | Calculated Property |
| η | 0.0004557 | Pa×s | 477.16 | Calculated Property |
| η | 0.0003291 | Pa×s | 510.41 | Calculated Property |
| η | 0.0002473 | Pa×s | 543.67 | Calculated Property |
| η | 0.0001921 | Pa×s | 576.92 | Calculated Property |
| η | 0.0001533 | Pa×s | 610.17 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [497.72; 689.09] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.51999e+01 | |||
| Coefficient B | -5.61689e+03 | |||
| Coefficient C | -1.21058e+02 | |||
| Temperature range, min. | 497.72 | |||
| Temperature range, max. | 689.09 | |||
| Pvap | 1.33 | kPa | 497.72 | Calculated Property |
| Pvap | 2.96 | kPa | 518.98 | Calculated Property |
| Pvap | 6.05 | kPa | 540.25 | Calculated Property |
| Pvap | 11.56 | kPa | 561.51 | Calculated Property |
| Pvap | 20.79 | kPa | 582.77 | Calculated Property |
| Pvap | 35.52 | kPa | 604.04 | Calculated Property |
| Pvap | 58.01 | kPa | 625.30 | Calculated Property |
| Pvap | 91.04 | kPa | 646.56 | Calculated Property |
| Pvap | 137.96 | kPa | 667.83 | Calculated Property |
| Pvap | 202.66 | kPa | 689.09 | Calculated Property |
Similar Compounds
Find more compounds similar to Nonadecane, 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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