- 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
- 408.74
- CAS
- 22725-64-0
- 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 (... Calculated Property | |
| ΔfG° | 85.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -726.50 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 70.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 147.50 | kJ/mol | Relay (... Calculated Property |
| IE | 10.13 | eV | Relay (... Calculated Property |
| log10WS | -9.73 | Relay (... 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 | 3039.70 | NIST | |
| Inp | 3014.00 | NIST | |
| Tboil | 649.30 | K | Relay (... Calculated Property |
| Tc | 840.33 | K | Relay (... Calculated Property |
| Tfus | 349.67 | K | Relay (... Calculated Property |
| Vc | 1.611 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1379.36; 1507.33] | J/mol×K | [888.70; 1092.98] |
|
| Cp,gas | 1379.36 | J/mol×K | 888.70 | Joback Calculated Property |
| Cp,gas | 1403.96 | J/mol×K | 922.75 | Joback Calculated Property |
| Cp,gas | 1427.14 | J/mol×K | 956.79 | Joback Calculated Property |
| Cp,gas | 1448.99 | J/mol×K | 990.84 | Joback Calculated Property |
| Cp,gas | 1469.59 | J/mol×K | 1024.89 | Joback Calculated Property |
| Cp,gas | 1489.01 | J/mol×K | 1058.93 | Joback Calculated Property |
| Cp,gas | 1507.33 | J/mol×K | 1092.98 | Joback Calculated Property |
| η | [0.0000349; 0.0011405] | Pa×s | [447.32; 888.70] |
|
| η | 0.0011405 | Pa×s | 447.32 | Joback Calculated Property |
| η | 0.0004233 | Pa×s | 520.88 | Joback Calculated Property |
| η | 0.0002008 | Pa×s | 594.45 | Joback Calculated Property |
| η | 0.0001122 | Pa×s | 668.01 | Joback Calculated Property |
| η | 0.0000704 | Pa×s | 741.57 | Joback Calculated Property |
| η | 0.0000480 | Pa×s | 815.14 | Joback Calculated Property |
| η | 0.0000349 | Pa×s | 888.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to octacosanal.
Sources
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