- InChI
- InChI=1S/C35H71Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36/h2-35H2,1H3
- InChI Key
- MEBUIUJNXZWZJQ-UHFFFAOYSA-N
- Formula
- C35H71Br
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
CCCCCBr - Molecular Weight1
- 571.84
- CAS
- 62108-51-4
- 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 | 1.4964 | Relay (1.0) Calculated Property | |
| ΔfG° | 258.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -768.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 91.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 190.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.57 | eV | Relay (1.0) Calculated Property |
| log10WS | -12.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 14.274 | Crippen Calculated Property | |
| McVol | 521.510 | ml/mol | McGowan Calculated Property |
| Pc | 491.86 | kPa | Joback Calculated Property |
| Tboil | 701.70 | K | Relay (1.0) Calculated Property |
| Tc | 873.99 | K | Relay (1.0) Calculated Property |
| Tfus | 339.65 | K | Relay (1.0) Calculated Property |
| Vc | 2.058 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [761.95; 1834.08] | 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 | -2.07360e+01 | |||
| Coefficient B | 3.36702e+00 | |||
| Coefficient C | -1.95160e-03 | |||
| Coefficient D | 4.39400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 761.95 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 945.64 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 1109.94 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 1256.25 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1385.96 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1500.45 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1601.12 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1689.36 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1766.55 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1834.08 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0002681; 0.0000123] | Pa×s | [544.01; 955.15] |
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 | -1.53761e+01 | |||
| Coefficient B | 3.89082e+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. | 544.01 | |||
| Temperature range, max. | 955.15 | |||
| η | 0.0002681 | Pa×s | 544.01 | Calculated Property |
| η | 0.0001541 | Pa×s | 589.69 | Calculated Property |
| η | 0.0000959 | Pa×s | 635.37 | Calculated Property |
| η | 0.0000636 | Pa×s | 681.06 | Calculated Property |
| η | 0.0000444 | Pa×s | 726.74 | Calculated Property |
| η | 0.0000323 | Pa×s | 772.42 | Calculated Property |
| η | 0.0000244 | Pa×s | 818.10 | Calculated Property |
| η | 0.0000190 | Pa×s | 863.78 | Calculated Property |
| η | 0.0000151 | Pa×s | 909.47 | Calculated Property |
| η | 0.0000123 | Pa×s | 955.15 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentatriacontane, 1-bromo-.
Sources
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