- InChI
- InChI=1S/C15H22O3/c1-3-4-5-9-12-17-15(16)13(2)18-14-10-7-6-8-11-14/h6-8,10-11,13H,3-5,9,12H2,1-2H3
- InChI Key
- KSVPNNZOLYKFND-UHFFFAOYSA-N
- Formula
- C15H22O3
- SMILES
- CCCCCCOC(=O)C(C)Oc1ccccc1
- Molecular Weight1
- 250.33
- 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 | 0.7025 | Relay (1.0) Calculated Property | |
| ΔfG° | -153.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -561.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.577 | Crippen Calculated Property | |
| McVol | 211.760 | ml/mol | McGowan Calculated Property |
| Pc | 1906.90 | kPa | Joback Calculated Property |
| Inp | 1684.00 | NIST | |
| Tboil | 564.25 | K | Relay (1.0) Calculated Property |
| Tc | 759.96 | K | Relay (1.0) Calculated Property |
| Tfus | 285.90 | K | Relay (1.0) Calculated Property |
| Vc | 0.792 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [574.87; 661.27] | J/mol×K | [667.55; 867.02] | 
|
| Cp,gas | 574.87 | J/mol×K | 667.55 | Joback Calculated Property |
| Cp,gas | 591.60 | J/mol×K | 700.80 | Joback Calculated Property |
| Cp,gas | 607.37 | J/mol×K | 734.04 | Joback Calculated Property |
| Cp,gas | 622.21 | J/mol×K | 767.29 | Joback Calculated Property |
| Cp,gas | 636.13 | J/mol×K | 800.53 | Joback Calculated Property |
| Cp,gas | 649.15 | J/mol×K | 833.78 | Joback Calculated Property |
| Cp,gas | 661.27 | J/mol×K | 867.02 | Joback Calculated Property |
| η | [0.0000987; 0.0016953] | Pa×s | [364.62; 667.55] |
|
| η | 0.0016953 | Pa×s | 364.62 | Joback Calculated Property |
| η | 0.0007912 | Pa×s | 415.11 | Joback Calculated Property |
| η | 0.0004356 | Pa×s | 465.60 | Joback Calculated Property |
| η | 0.0002696 | Pa×s | 516.09 | Joback Calculated Property |
| η | 0.0001817 | Pa×s | 566.57 | Joback Calculated Property |
| η | 0.0001306 | Pa×s | 617.06 | Joback Calculated Property |
| η | 0.0000987 | Pa×s | 667.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hexyl 2-phenoxypropionate.
Sources
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