- InChI
- InChI=1S/C28H56O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28(29)26-24-22-20-18-16-14-12-10-8-6-4-2/h3-27H2,1-2H3
- InChI Key
- DBADHDAADPVAEV-UHFFFAOYSA-N
- Formula
- C28H56O
- SMILES
-
CCCCCCCCCCCCCCC(=O)CCCCCCCCCCC
CC - 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 | 1.1886 | Relay (1.0) Calculated Property | |
| ΔfG° | 55.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -752.85 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 69.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 135.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 10.348 | Crippen Calculated Property | |
| McVol | 406.950 | ml/mol | McGowan Calculated Property |
| Pc | 677.11 | kPa | Joback Calculated Property |
| Inp | [2988.90; 2988.90] |
|
|
| Inp | 2988.90 | NIST | |
| Inp | 2988.90 | NIST | |
| Tboil | 639.48 | K | Relay (1.0) Calculated Property |
| Tc | 833.04 | K | Relay (1.0) Calculated Property |
| Tfus | 348.52 | K | Relay (1.0) Calculated Property |
| Vc | 1.597 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1381.36; 1508.42] | J/mol×K | [893.91; 1098.64] |
|
| Cp,gas | 1381.36 | J/mol×K | 893.91 | Joback Calculated Property |
| Cp,gas | 1405.83 | J/mol×K | 928.03 | Joback Calculated Property |
| Cp,gas | 1428.89 | J/mol×K | 962.15 | Joback Calculated Property |
| Cp,gas | 1450.60 | J/mol×K | 996.28 | Joback Calculated Property |
| Cp,gas | 1471.05 | J/mol×K | 1030.40 | Joback Calculated Property |
| Cp,gas | 1490.30 | J/mol×K | 1064.52 | Joback Calculated Property |
| Cp,gas | 1508.42 | J/mol×K | 1098.64 | Joback Calculated Property |
| η | [0.0000311; 0.0009703] | Pa×s | [455.25; 893.91] |
|
| η | 0.0009703 | Pa×s | 455.25 | Joback Calculated Property |
| η | 0.0003676 | Pa×s | 528.36 | Joback Calculated Property |
| η | 0.0001763 | Pa×s | 601.47 | Joback Calculated Property |
| η | 0.0000992 | Pa×s | 674.58 | Joback Calculated Property |
| η | 0.0000624 | Pa×s | 747.69 | Joback Calculated Property |
| η | 0.0000427 | Pa×s | 820.80 | Joback Calculated Property |
| η | 0.0000311 | Pa×s | 893.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Octacosan-14-one.
Sources
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