- InChI
- InChI=1S/C25H51Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26/h2-25H2,1H3
- InChI Key
- DDEOKNGWYRTQDY-UHFFFAOYSA-N
- Formula
- C25H51Br
- SMILES
- CCCCCCCCCCCCCCCCCCCCCCCCCBr
- Molecular Weight1
- 431.59
- 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).
- 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).
- 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 | 1.1456 | Relay (1.0) Calculated Property | |
| ΔfG° | 173.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -563.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 65.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 142.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.373 | Crippen Calculated Property | |
| McVol | 380.610 | ml/mol | McGowan Calculated Property |
| Pc | 793.94 | kPa | Joback Calculated Property |
| Tboil | 639.97 | K | Relay (1.0) Calculated Property |
| Tc | 816.76 | K | Relay (1.0) Calculated Property |
| Tfus | 322.39 | K | Relay (1.0) Calculated Property |
| Vc | 1.512 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [549.81; 1318.17] | 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 | -1.16460e+01 | |||
| Coefficient B | 2.41702e+00 | |||
| Coefficient C | -1.40760e-03 | |||
| Coefficient D | 3.20400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 549.81 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 681.46 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 799.17 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 903.96 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 996.85 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1078.84 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1150.96 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1214.21 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1269.61 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1318.17 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0010812; 0.0000705] | Pa×s | [431.31; 717.96] |
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 | -1.36675e+01 | |||
| Coefficient B | 2.94922e+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. | 431.31 | |||
| Temperature range, max. | 717.96 | |||
| η | 0.0010812 | Pa×s | 431.31 | Calculated Property |
| η | 0.0006756 | Pa×s | 463.16 | Calculated Property |
| η | 0.0004485 | Pa×s | 495.01 | Calculated Property |
| η | 0.0003128 | Pa×s | 526.86 | Calculated Property |
| η | 0.0002274 | Pa×s | 558.71 | Calculated Property |
| η | 0.0001710 | Pa×s | 590.56 | Calculated Property |
| η | 0.0001325 | Pa×s | 622.41 | Calculated Property |
| η | 0.0001052 | Pa×s | 654.26 | Calculated Property |
| η | 0.0000853 | Pa×s | 686.11 | Calculated Property |
| η | 0.0000705 | Pa×s | 717.96 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentacosane, 1-bromo-.
Sources
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