- InChI
- InChI=1S/C28H48O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-30-28(29)27(4-2)26-23-20-19-21-24-26/h19-21,23-24,27H,3-18,22,25H2,1-2H3
- InChI Key
- LTESNJQASILVDY-UHFFFAOYSA-N
- Formula
- C28H48O2
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)C(CC)c
1ccccc1 - Molecular Weight1
- 416.68
- 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° | 60.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -634.80 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 61.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.97 | kJ/mol | Joback Calculated Property |
| log10WS | -9.47 | Crippen Calculated Property | |
| logPoct/wat | 8.985 | Crippen Calculated Property | |
| McVol | 389.060 | ml/mol | McGowan Calculated Property |
| Pc | 806.62 | kPa | Joback Calculated Property |
| Inp | [2973.00; 2973.00] |
|
|
| Inp | 2973.00 | NIST | |
| Inp | 2973.00 | NIST | |
| Tboil | 942.57 | K | Joback Calculated Property |
| Tc | 1154.19 | K | Joback Calculated Property |
| Tfus | 488.90 | K | Joback Calculated Property |
| Vc | 1.514 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1320.46; 1424.66] | J/mol×K | [942.57; 1154.19] |
|
| Cp,gas | 1320.46 | J/mol×K | 942.57 | Joback Calculated Property |
| Cp,gas | 1341.15 | J/mol×K | 977.84 | Joback Calculated Property |
| Cp,gas | 1360.40 | J/mol×K | 1013.11 | Joback Calculated Property |
| Cp,gas | 1378.31 | J/mol×K | 1048.38 | Joback Calculated Property |
| Cp,gas | 1394.94 | J/mol×K | 1083.65 | Joback Calculated Property |
| Cp,gas | 1410.37 | J/mol×K | 1118.92 | Joback Calculated Property |
| Cp,gas | 1424.66 | J/mol×K | 1154.19 | Joback Calculated Property |
| η | [0.0000216; 0.0006052] | Pa×s | [488.90; 942.57] |
|
| η | 0.0006052 | Pa×s | 488.90 | Joback Calculated Property |
| η | 0.0002393 | Pa×s | 564.51 | Joback Calculated Property |
| η | 0.0001178 | Pa×s | 640.12 | Joback Calculated Property |
| η | 0.0000674 | Pa×s | 715.73 | Joback Calculated Property |
| η | 0.0000429 | Pa×s | 791.35 | Joback Calculated Property |
| η | 0.0000295 | Pa×s | 866.96 | Joback Calculated Property |
| η | 0.0000216 | Pa×s | 942.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butyric acid, 2-phenyl-, octadecyl ester.
Sources
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