- 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
- 394.72
- CAS
- 72934-03-3
- 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 (... Calculated Property | |
| ΔfG° | 76.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -705.85 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 67.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 142.67 | kJ/mol | Relay (... Calculated Property |
| IE | 10.10 | eV | Relay (... Calculated Property |
| log10WS | -9.45 | Relay (... 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 (... Calculated Property |
| Tc | 834.22 | K | Relay (... Calculated Property |
| Tfus | 347.80 | K | Relay (... Calculated Property |
| Vc | 1.556 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1313.72; 1437.98] | J/mol×K | [865.82; 1062.30] |
|
| Cp,gas | 1313.72 | J/mol×K | 865.82 | Joback Calculated Property |
| Cp,gas | 1337.48 | J/mol×K | 898.57 | Joback Calculated Property |
| Cp,gas | 1359.92 | J/mol×K | 931.31 | Joback Calculated Property |
| Cp,gas | 1381.13 | J/mol×K | 964.06 | Joback Calculated Property |
| Cp,gas | 1401.17 | J/mol×K | 996.81 | Joback Calculated Property |
| Cp,gas | 1420.10 | J/mol×K | 1029.55 | Joback Calculated Property |
| Cp,gas | 1437.98 | J/mol×K | 1062.30 | Joback Calculated Property |
| η | [0.0000405; 0.0012982] | Pa×s | [436.05; 865.82] |
|
| η | 0.0012982 | Pa×s | 436.05 | Joback Calculated Property |
| η | 0.0004846 | Pa×s | 507.68 | Joback Calculated Property |
| η | 0.0002308 | Pa×s | 579.31 | Joback Calculated Property |
| η | 0.0001294 | Pa×s | 650.93 | Joback Calculated Property |
| η | 0.0000814 | Pa×s | 722.56 | Joback Calculated Property |
| η | 0.0000557 | Pa×s | 794.19 | Joback Calculated Property |
| η | 0.0000405 | Pa×s | 865.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Heptacosanal.
Sources
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