- InChI
- InChI=1S/C28H58/c1-4-7-10-12-14-16-18-20-23-26-28(25-22-9-6-3)27-24-21-19-17-15-13-11-8-5-2/h28H,4-27H2,1-3H3
- InChI Key
- JSDRIOPBAZFBBA-UHFFFAOYSA-N
- Formula
- C28H58
- SMILES
- CCCCCCCCCCCC(CCCCC)CCCCCCCCCCC
- Molecular Weight1
- 394.77
- 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).
- 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 | 1.0832 | Relay (1.0) Calculated Property | |
| ΔfG° | 182.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -622.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 64.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 130.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -10.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 11.025 | Crippen Calculated Property | |
| McVol | 405.380 | ml/mol | McGowan Calculated Property |
| Pc | 658.14 | kPa | Joback Calculated Property |
| Inp | [2648.00; 2650.00] |
|
|
| Inp | 2648.00 | NIST | |
| Inp | 2650.00 | NIST | |
| Tboil | 629.58 | K | Relay (1.0) Calculated Property |
| Tc | 799.92 | K | Relay (1.0) Calculated Property |
| Tfus | 274.92 | K | Relay (1.0) Calculated Property |
| Vc | 1.579 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [599.15; 1464.41] | 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 | -2.42460e+01 | |||
| Coefficient B | 2.66976e+00 | |||
| Coefficient C | -1.50260e-03 | |||
| Coefficient D | 3.21500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 599.15 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 746.43 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 878.55 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 996.53 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1101.38 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1194.13 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1275.80 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1347.39 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1409.92 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1464.41 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0017949; 0.0000540] | Pa×s | [390.32; 720.49] |
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 | -1.39697e+01 | |||
| Coefficient B | 2.98474e+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. | 390.32 | |||
| Temperature range, max. | 720.49 | |||
| η | 0.0017949 | Pa×s | 390.32 | Calculated Property |
| η | 0.0009305 | Pa×s | 427.01 | Calculated Property |
| η | 0.0005353 | Pa×s | 463.69 | Calculated Property |
| η | 0.0003339 | Pa×s | 500.38 | Calculated Property |
| η | 0.0002222 | Pa×s | 537.06 | Calculated Property |
| η | 0.0001557 | Pa×s | 573.75 | Calculated Property |
| η | 0.0001139 | Pa×s | 610.43 | Calculated Property |
| η | 0.0000863 | Pa×s | 647.12 | Calculated Property |
| η | 0.0000674 | Pa×s | 683.80 | Calculated Property |
| η | 0.0000540 | Pa×s | 720.49 | Calculated Property |
Similar Compounds
Find more compounds similar to 12-pentyltricosane.
Sources
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