- InChI
- InChI=1S/C21H34O3/c1-2-3-4-5-6-7-8-9-10-14-17-21(22)24-19-18-23-20-15-12-11-13-16-20/h11-13,15-16H,2-10,14,17-19H2,1H3
- InChI Key
- YMEKRLLRCVBNJW-UHFFFAOYSA-N
- Formula
- C21H34O3
- SMILES
- CCCCCCCCCCCCC(=O)OCCOc1ccccc1
- Molecular Weight1
- 334.49
- 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° | -100.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -617.26 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.18 | kJ/mol | Joback Calculated Property |
| log10WS | -6.31 | Crippen Calculated Property | |
| logPoct/wat | 5.920 | Crippen Calculated Property | |
| McVol | 296.300 | ml/mol | McGowan Calculated Property |
| Pc | 1210.67 | kPa | Joback Calculated Property |
| Inp | [2427.00; 2427.00] |
|
|
| Inp | 2427.00 | NIST | |
| Inp | 2427.00 | NIST | |
| Tboil | 805.27 | K | Joback Calculated Property |
| Tc | 997.08 | K | Joback Calculated Property |
| Tfus | 447.24 | K | Joback Calculated Property |
| Vc | 1.145 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [916.47; 1009.11] | J/mol×K | [805.27; 997.08] |
|
| Cp,gas | 916.47 | J/mol×K | 805.27 | Joback Calculated Property |
| Cp,gas | 934.59 | J/mol×K | 837.24 | Joback Calculated Property |
| Cp,gas | 951.60 | J/mol×K | 869.21 | Joback Calculated Property |
| Cp,gas | 967.53 | J/mol×K | 901.17 | Joback Calculated Property |
| Cp,gas | 982.40 | J/mol×K | 933.14 | Joback Calculated Property |
| Cp,gas | 996.25 | J/mol×K | 965.11 | Joback Calculated Property |
| Cp,gas | 1009.11 | J/mol×K | 997.08 | Joback Calculated Property |
| η | [0.0000490; 0.0008017] | Pa×s | [447.24; 805.27] |
|
| η | 0.0008017 | Pa×s | 447.24 | Joback Calculated Property |
| η | 0.0003825 | Pa×s | 506.91 | Joback Calculated Property |
| η | 0.0002133 | Pa×s | 566.58 | Joback Calculated Property |
| η | 0.0001329 | Pa×s | 626.25 | Joback Calculated Property |
| η | 0.0000899 | Pa×s | 685.93 | Joback Calculated Property |
| η | 0.0000648 | Pa×s | 745.60 | Joback Calculated Property |
| η | 0.0000490 | Pa×s | 805.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Phenoxyethyl tridecanoate.
Sources
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