- InChI
- InChI=1S/C30H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-30(31)32-28-27-29-24-21-20-22-25-29/h20-22,24-25H,2-19,23,26-28H2,1H3
- InChI Key
- OCCJNJQOJXFKQO-UHFFFAOYSA-N
- Formula
- C30H52O2
- SMILES
-
CCCCCCCCCCCCCCCCCCCCCC(=O)OCCc
1ccccc1 - Molecular Weight1
- 444.73
- CAS
- 104899-74-3
- 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 | 1.2573 | Relay (1.0) Calculated Property | |
| ΔfG° | 80.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -738.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 70.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 142.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.24 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.594 | Crippen Calculated Property | |
| McVol | 417.240 | ml/mol | McGowan Calculated Property |
| Pc | 722.24 | kPa | Joback Calculated Property |
| Inp | [3324.00; 3324.00] |
|
|
| Inp | 3324.00 | NIST | |
| Inp | 3324.00 | NIST | |
| Tboil | 688.42 | K | Relay (1.0) Calculated Property |
| Tc | 886.95 | K | Relay (1.0) Calculated Property |
| Tfus | 311.76 | K | Relay (1.0) Calculated Property |
| Vc | 1.601 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1449.39; 1558.27] | J/mol×K | [988.77; 1215.45] |
|
| Cp,gas | 1449.39 | J/mol×K | 988.77 | Joback Calculated Property |
| Cp,gas | 1471.22 | J/mol×K | 1026.55 | Joback Calculated Property |
| Cp,gas | 1491.45 | J/mol×K | 1064.33 | Joback Calculated Property |
| Cp,gas | 1510.16 | J/mol×K | 1102.11 | Joback Calculated Property |
| Cp,gas | 1527.47 | J/mol×K | 1139.89 | Joback Calculated Property |
| Cp,gas | 1543.48 | J/mol×K | 1177.67 | Joback Calculated Property |
| Cp,gas | 1558.27 | J/mol×K | 1215.45 | Joback Calculated Property |
| η | [0.0000174; 0.0004029] | Pa×s | [526.44; 988.77] |
|
| η | 0.0004029 | Pa×s | 526.44 | Joback Calculated Property |
| η | 0.0001708 | Pa×s | 603.49 | Joback Calculated Property |
| η | 0.0000880 | Pa×s | 680.55 | Joback Calculated Property |
| η | 0.0000519 | Pa×s | 757.60 | Joback Calculated Property |
| η | 0.0000337 | Pa×s | 834.66 | Joback Calculated Property |
| η | 0.0000236 | Pa×s | 911.71 | Joback Calculated Property |
| η | 0.0000174 | Pa×s | 988.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Phenylethyl docosanoate.
Sources
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