- InChI
- InChI=1S/C12H16O3/c1-3-11(12(13)14-4-2)15-10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3
- InChI Key
- IHASFDBVENKSHI-UHFFFAOYSA-N
- Formula
- C12H16O3
- SMILES
- CCOC(=O)C(CC)Oc1ccccc1
- Molecular Weight1
- 208.25
- 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° | -178.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -436.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.76 | kJ/mol | Joback Calculated Property |
| log10WS | -2.66 | Crippen Calculated Property | |
| logPoct/wat | 2.407 | Crippen Calculated Property | |
| McVol | 169.490 | ml/mol | McGowan Calculated Property |
| Pc | 2495.01 | kPa | Joback Calculated Property |
| Inp | [1392.00; 1392.00] |
|
|
| Inp | 1392.00 | NIST | |
| Inp | 1392.00 | NIST | |
| Tboil | 598.91 | K | Joback Calculated Property |
| Tc | 806.97 | K | Joback Calculated Property |
| Tfus | 330.81 | K | Joback Calculated Property |
| Vc | 0.635 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [420.15; 498.98] | J/mol×K | [598.91; 806.97] |
|
| Cp,gas | 420.15 | J/mol×K | 598.91 | Joback Calculated Property |
| Cp,gas | 435.37 | J/mol×K | 633.59 | Joback Calculated Property |
| Cp,gas | 449.74 | J/mol×K | 668.26 | Joback Calculated Property |
| Cp,gas | 463.27 | J/mol×K | 702.94 | Joback Calculated Property |
| Cp,gas | 475.99 | J/mol×K | 737.62 | Joback Calculated Property |
| Cp,gas | 487.88 | J/mol×K | 772.30 | Joback Calculated Property |
| Cp,gas | 498.98 | J/mol×K | 806.97 | Joback Calculated Property |
| η | [0.0001378; 0.0020694] | Pa×s | [330.81; 598.91] |
|
| η | 0.0020694 | Pa×s | 330.81 | Joback Calculated Property |
| η | 0.0010071 | Pa×s | 375.49 | Joback Calculated Property |
| η | 0.0005713 | Pa×s | 420.18 | Joback Calculated Property |
| η | 0.0003614 | Pa×s | 464.86 | Joback Calculated Property |
| η | 0.0002477 | Pa×s | 509.54 | Joback Calculated Property |
| η | 0.0001805 | Pa×s | 554.23 | Joback Calculated Property |
| η | 0.0001378 | Pa×s | 598.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl 2-phenoxybutyrate.
Sources
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