- InChI
- InChI=1S/C11H14O3/c1-3-10(11(12)13-2)14-9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3
- InChI Key
- MFMSDSMLLUAITD-UHFFFAOYSA-N
- Formula
- C11H14O3
- SMILES
- CCC(Oc1ccccc1)C(=O)OC
- Molecular Weight1
- 194.23
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 20.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.45 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.017 | Crippen Calculated Property | |
| McVol | 155.400 | ml/mol | McGowan Calculated Property |
| Inp | [1334.00; 1334.00] |
|
|
| Inp | 1334.00 | NIST | |
| Inp | 1334.00 | NIST | |
| Tboil | 514.01 | K | Relay (1.0) Calculated Property |
| Tfus | 299.93 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [213.00; 495.45] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 8.21100e+00 | |||
| Coefficient B | 8.57840e-01 | |||
| Coefficient C | -4.03400e-04 | |||
| Coefficient D | 3.28000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 213.00 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 262.66 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 307.50 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 347.64 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 383.18 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 414.22 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 440.86 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 463.21 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 481.37 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 495.45 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0034351; 0.0001600] | Pa×s | [289.71; 537.04] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.23330e+01 | |||
| Coefficient B | 1.92925e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 289.71 | |||
| Temperature range, max. | 537.04 | |||
| η | 0.0034351 | Pa×s | 289.71 | Calculated Property |
| η | 0.0019292 | Pa×s | 317.19 | Calculated Property |
| η | 0.0011878 | Pa×s | 344.67 | Calculated Property |
| η | 0.0007857 | Pa×s | 372.15 | Calculated Property |
| η | 0.0005501 | Pa×s | 399.64 | Calculated Property |
| η | 0.0004032 | Pa×s | 427.12 | Calculated Property |
| η | 0.0003069 | Pa×s | 454.60 | Calculated Property |
| η | 0.0002409 | Pa×s | 482.08 | Calculated Property |
| η | 0.0001942 | Pa×s | 509.56 | Calculated Property |
| η | 0.0001600 | Pa×s | 537.04 | Calculated Property |
Similar Compounds
Find more compounds similar to Methyl 2-phenoxybutyrate.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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