- InChI
- InChI=1S/C33H66O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-29-31-33(34)35-32-30-28-10-8-6-4-2/h3-32H2,1-2H3
- InChI Key
- RFPRPBHMYANGJW-UHFFFAOYSA-N
- Formula
- C33H66O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
CCCCCCCC - Molecular Weight1
- 494.88
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -6.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -969.25 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 84.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.21 | kJ/mol | Joback Calculated Property |
| log10WS | -12.50 | Crippen Calculated Property | |
| logPoct/wat | 11.882 | Crippen Calculated Property | |
| McVol | 483.270 | ml/mol | McGowan Calculated Property |
| Pc | 530.91 | kPa | Joback Calculated Property |
| Inp | [3461.54; 3461.54] |
|
|
| Inp | 3461.54 | NIST | |
| Inp | 3461.54 | NIST | |
| Tboil | 1030.73 | K | Joback Calculated Property |
| Tc | 1306.79 | K | Joback Calculated Property |
| Tfus | 533.83 | K | Joback Calculated Property |
| Vc | 1.907 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1750.75; 1893.74] | J/mol×K | [1030.73; 1306.79] |
|
| Cp,gas | 1750.75 | J/mol×K | 1030.73 | Joback Calculated Property |
| Cp,gas | 1780.48 | J/mol×K | 1076.74 | Joback Calculated Property |
| Cp,gas | 1807.60 | J/mol×K | 1122.75 | Joback Calculated Property |
| Cp,gas | 1832.30 | J/mol×K | 1168.76 | Joback Calculated Property |
| Cp,gas | 1854.77 | J/mol×K | 1214.77 | Joback Calculated Property |
| Cp,gas | 1875.18 | J/mol×K | 1260.78 | Joback Calculated Property |
| Cp,gas | 1893.74 | J/mol×K | 1306.79 | Joback Calculated Property |
| η | [0.0000105; 0.0003193] | Pa×s | [533.83; 1030.73] |
|
| η | 0.0003193 | Pa×s | 533.83 | Joback Calculated Property |
| η | 0.0001232 | Pa×s | 616.65 | Joback Calculated Property |
| η | 0.0000595 | Pa×s | 699.46 | Joback Calculated Property |
| η | 0.0000336 | Pa×s | 782.28 | Joback Calculated Property |
| η | 0.0000211 | Pa×s | 865.10 | Joback Calculated Property |
| η | 0.0000144 | Pa×s | 947.91 | Joback Calculated Property |
| η | 0.0000105 | Pa×s | 1030.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to octyl pentacosanoate.
Sources
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