- InChI
- InChI=1S/C27H54O/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/h27H,2-26H2,1H3
- InChI Key
- UEAAOADMOOTTQM-UHFFFAOYSA-N
- Formula
- C27H54O
- SMILES
- CCCCCCCCCCCCCCCCCCCCCCCCCCC=O
- Molecular Weight1
- 394.73
- 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 | 1.1813 | Relay (1.0) Calculated Property | |
| ΔfG° | 76.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -705.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 67.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 144.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.45 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.958 | Crippen Calculated Property | |
| McVol | 392.860 | ml/mol | McGowan Calculated Property |
| Pc | 716.45 | kPa | Joback Calculated Property |
| Inp | [2930.00; 2944.40] |
|
|
| Inp | 2930.00 | NIST | |
| Inp | 2944.40 | NIST | |
| Inp | 2930.00 | NIST | |
| Tboil | 643.09 | K | Relay (1.0) Calculated Property |
| Tc | 837.06 | K | Relay (1.0) Calculated Property |
| Tfus | 342.32 | K | Relay (1.0) Calculated Property |
| Vc | 1.557 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [583.17; 1403.07] | 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 | -1.02550e+01 | |||
| Coefficient B | 2.54332e+00 | |||
| Coefficient C | -1.43800e-03 | |||
| Coefficient D | 3.08000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 583.17 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 723.17 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 848.68 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 960.67 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1060.10 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1147.95 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1225.20 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1292.82 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1351.78 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1403.07 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0012982; 0.0000722] | Pa×s | [436.05; 743.78] |
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 | -1.36308e+01 | |||
| Coefficient B | 3.04539e+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. | 436.05 | |||
| Temperature range, max. | 743.78 | |||
| η | 0.0012982 | Pa×s | 436.05 | Calculated Property |
| η | 0.0007813 | Pa×s | 470.24 | Calculated Property |
| η | 0.0005037 | Pa×s | 504.43 | Calculated Property |
| η | 0.0003433 | Pa×s | 538.63 | Calculated Property |
| η | 0.0002450 | Pa×s | 572.82 | Calculated Property |
| η | 0.0001816 | Pa×s | 607.01 | Calculated Property |
| η | 0.0001390 | Pa×s | 641.20 | Calculated Property |
| η | 0.0001093 | Pa×s | 675.40 | Calculated Property |
| η | 0.0000879 | Pa×s | 709.59 | Calculated Property |
| η | 0.0000722 | Pa×s | 743.78 | Calculated Property |
Similar Compounds
Find more compounds similar to Heptacosanal.
Sources
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