- InChI
- InChI=1S/C29H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-29(30)31-27-28-24-21-20-22-25-28/h20-22,24-25H,2-19,23,26-27H2,1H3
- InChI Key
- FYOGVGKALAEVBF-UHFFFAOYSA-N
- Formula
- C29H50O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCC(=O)OCc1
ccccc1 - Molecular Weight1
- 430.71
- CAS
- 85263-74-7
- 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 | 1.2238 | Relay (1.0) Calculated Property | |
| ΔfG° | 71.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -703.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 67.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 134.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.35 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.93 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.552 | Crippen Calculated Property | |
| McVol | 403.150 | ml/mol | McGowan Calculated Property |
| Pc | 761.00 | kPa | Joback Calculated Property |
| Inp | [3305.80; 3305.80] |
|
|
| Inp | 3305.80 | NIST | |
| Inp | 3305.80 | NIST | |
| Tboil | 672.39 | K | Relay (1.0) Calculated Property |
| Tc | 879.71 | K | Relay (1.0) Calculated Property |
| Tfus | 313.53 | K | Relay (1.0) Calculated Property |
| Vc | 1.547 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1384.52; 1491.24] | J/mol×K | [965.89; 1184.68] |
|
| Cp,gas | 1384.52 | J/mol×K | 965.89 | Joback Calculated Property |
| Cp,gas | 1405.79 | J/mol×K | 1002.36 | Joback Calculated Property |
| Cp,gas | 1425.55 | J/mol×K | 1038.82 | Joback Calculated Property |
| Cp,gas | 1443.89 | J/mol×K | 1075.29 | Joback Calculated Property |
| Cp,gas | 1460.89 | J/mol×K | 1111.75 | Joback Calculated Property |
| Cp,gas | 1476.64 | J/mol×K | 1148.22 | Joback Calculated Property |
| Cp,gas | 1491.24 | J/mol×K | 1184.68 | Joback Calculated Property |
| η | [0.0000203; 0.0004593] | Pa×s | [515.17; 965.89] |
|
| η | 0.0004593 | Pa×s | 515.17 | Joback Calculated Property |
| η | 0.0001962 | Pa×s | 590.29 | Joback Calculated Property |
| η | 0.0001016 | Pa×s | 665.41 | Joback Calculated Property |
| η | 0.0000601 | Pa×s | 740.53 | Joback Calculated Property |
| η | 0.0000392 | Pa×s | 815.65 | Joback Calculated Property |
| η | 0.0000274 | Pa×s | 890.77 | Joback Calculated Property |
| η | 0.0000203 | Pa×s | 965.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to benzyl docosanoate.
Sources
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