- InChI
- InChI=1S/C17H26O3/c1-2-3-4-5-6-10-13-17(18)20-15-14-19-16-11-8-7-9-12-16/h7-9,11-12H,2-6,10,13-15H2,1H3
- InChI Key
- AIBGEXLVFNCYTE-UHFFFAOYSA-N
- Formula
- C17H26O3
- SMILES
- CCCCCCCCC(=O)OCCOc1ccccc1
- Molecular Weight1
- 278.39
- 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 | 0.8542 | Relay (1.0) Calculated Property | |
| ΔfG° | -134.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -589.06 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 37.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.359 | Crippen Calculated Property | |
| McVol | 239.940 | ml/mol | McGowan Calculated Property |
| Pc | 1612.88 | kPa | Joback Calculated Property |
| Inp | 2015.00 | NIST | |
| Tboil | 608.93 | K | Relay (1.0) Calculated Property |
| Tc | 797.76 | K | Relay (1.0) Calculated Property |
| Tfus | 295.31 | K | Relay (1.0) Calculated Property |
| Vc | 0.907 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [684.15; 772.57] | J/mol×K | [713.75; 906.43] | 
|
| Cp,gas | 684.15 | J/mol×K | 713.75 | Joback Calculated Property |
| Cp,gas | 701.25 | J/mol×K | 745.86 | Joback Calculated Property |
| Cp,gas | 717.39 | J/mol×K | 777.98 | Joback Calculated Property |
| Cp,gas | 732.57 | J/mol×K | 810.09 | Joback Calculated Property |
| Cp,gas | 746.81 | J/mol×K | 842.20 | Joback Calculated Property |
| Cp,gas | 760.14 | J/mol×K | 874.32 | Joback Calculated Property |
| Cp,gas | 772.57 | J/mol×K | 906.43 | Joback Calculated Property |
| η | [0.0000834; 0.0011729] | Pa×s | [402.16; 713.75] |
|
| η | 0.0011729 | Pa×s | 402.16 | Joback Calculated Property |
| η | 0.0005869 | Pa×s | 454.09 | Joback Calculated Property |
| η | 0.0003385 | Pa×s | 506.02 | Joback Calculated Property |
| η | 0.0002163 | Pa×s | 557.96 | Joback Calculated Property |
| η | 0.0001492 | Pa×s | 609.89 | Joback Calculated Property |
| η | 0.0001090 | Pa×s | 661.82 | Joback Calculated Property |
| η | 0.0000834 | Pa×s | 713.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Phenoxyethyl nonanoate.
Sources
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