- InChI
- InChI=1S/C12H16O3/c1-10(2)12(13)15-9-8-14-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
- InChI Key
- MJTPMXWJHPOWGH-UHFFFAOYSA-N
- Formula
- C12H16O3
- SMILES
- CC(C)C(=O)OCCOc1ccccc1
- Molecular Weight1
- 208.25
- CAS
- 103-60-6
- Other Names
-
- Propanoic acid, 2-methyl-, 2-phenoxyethyl ester
- Isobutyric acid, 2-phenoxyethyl ester
- «beta»-Phenoxyethyl iso-butyrate
- Phenoxyethyl isobutyrate
- 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.
- I : 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 | 0.6126 | Relay (... Calculated Property | |
| ΔfG° | -178.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -479.80 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 21.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.62 | kJ/mol | Relay (... Calculated Property |
| IE | 8.58 | eV | Relay (... Calculated Property |
| log10WS | -2.75 | Relay (... Calculated Property | |
| logPoct/wat | 2.265 | Crippen Calculated Property | |
| McVol | 169.490 | ml/mol | McGowan Calculated Property |
| Pc | 2495.01 | kPa | Joback Calculated Property |
| Inp | [1482.50; 1493.00] |
|
|
| Inp | 1482.50 | NIST | |
| Inp | 1493.00 | NIST | |
| Inp | 1482.50 | NIST | |
| Inp | 1493.00 | NIST | |
| I | [2100.00; 2106.00] |
|
|
| I | 2100.00 | NIST | |
| I | 2106.00 | NIST | |
| I | 2100.00 | NIST | |
| Tboil | 536.76 | K | Relay (... Calculated Property |
| Tc | 734.84 | K | Relay (... Calculated Property |
| Tfus | 281.91 | K | Relay (... Calculated Property |
| Vc | 0.634 | m3/kmol | Relay (... 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 2-Phenoxyethyl isobutyrate.
Sources
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