- InChI
- InChI=1S/C28H56O/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/h28H,2-27H2,1H3
- InChI Key
- LVXORIXZNUNHGQ-UHFFFAOYSA-N
- Formula
- C28H56O
- SMILES
- CCCCCCCCCCCCCCCCCCCCCCCCCCCC=O
- Molecular Weight1
- 408.75
- 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 | 1.2164 | Relay (1.0) Calculated Property | |
| ΔfG° | 85.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -726.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 70.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 149.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.348 | Crippen Calculated Property | |
| McVol | 406.950 | ml/mol | McGowan Calculated Property |
| Pc | 681.00 | kPa | Joback Calculated Property |
| Inp | [3014.00; 3039.70] |
|
|
| Inp | 3039.70 | NIST | |
| Inp | 3014.00 | NIST | |
| Inp | 3032.00 | NIST | |
| Inp | 3014.00 | NIST | |
| Inp | 3039.70 | NIST | |
| Tboil | 649.30 | K | Relay (1.0) Calculated Property |
| Tc | 843.17 | K | Relay (1.0) Calculated Property |
| Tfus | 344.18 | K | Relay (1.0) Calculated Property |
| Vc | 1.613 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [604.38; 1454.66] | 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 | -1.11640e+01 | |||
| Coefficient B | 2.63832e+00 | |||
| Coefficient C | -1.49240e-03 | |||
| Coefficient D | 3.19900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 604.38 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 749.59 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 879.76 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 995.90 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1099.01 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1190.11 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1270.22 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1340.33 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1401.48 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1454.66 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0011405; 0.0000618] | Pa×s | [447.32; 765.26] |
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 | -1.37949e+01 | |||
| Coefficient B | 3.13955e+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. | 447.32 | |||
| Temperature range, max. | 765.26 | |||
| η | 0.0011405 | Pa×s | 447.32 | Calculated Property |
| η | 0.0006823 | Pa×s | 482.65 | Calculated Property |
| η | 0.0004378 | Pa×s | 517.97 | Calculated Property |
| η | 0.0002973 | Pa×s | 553.30 | Calculated Property |
| η | 0.0002115 | Pa×s | 588.63 | Calculated Property |
| η | 0.0001564 | Pa×s | 623.95 | Calculated Property |
| η | 0.0001194 | Pa×s | 659.28 | Calculated Property |
| η | 0.0000937 | Pa×s | 694.61 | Calculated Property |
| η | 0.0000753 | Pa×s | 729.93 | Calculated Property |
| η | 0.0000618 | Pa×s | 765.26 | Calculated Property |
Similar Compounds
Find more compounds similar to Octacosanal.
Sources
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