- InChI
- InChI=1S/C9H10O2/c1-7(10)8-5-3-4-6-9(8)11-2/h3-6H,1-2H3
- InChI Key
- DWPLEOPKBWNPQV-UHFFFAOYSA-N
- Formula
- C9H10O2
- SMILES
- COc1ccccc1C(C)=O
- Molecular Weight1
- 150.17
- CAS
- 579-74-8
- Other Names
-
- 1-(2-methoxyphenyl)ethan-1-one
- 2'-methoxyacetophenone
- 2-Methoxyacetophenone
- 2-Methoxyacetylbenzene
- 2-acetylanisole
- Acetophenone, 2'-methoxy-
- Ethanone, 1-(2-methoxyphenyl)-
- methyl (2-methoxyphenyl) ketone
- o-Acetanisole
- o-Acetylanisole
- o-Methoxyacetophenone
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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 | 0.4890 | Relay (1.0) Calculated Property | |
| ΔfG° | -106.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -253.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.78 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.76 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.898 | Crippen Calculated Property | |
| McVol | 121.350 | ml/mol | McGowan Calculated Property |
| Pc | 3380.21 | kPa | Joback Calculated Property |
| Inp | [1250.00; 1285.00] |
|
|
| Inp | 1250.00 | NIST | |
| Inp | 1285.00 | NIST | |
| Inp | 1269.00 | NIST | |
| Inp | 1285.00 | NIST | |
| Inp | 1269.00 | NIST | |
| I | [1971.00; 2020.00] |
|
|
| I | 2020.00 | NIST | |
| I | 1971.00 | NIST | |
| I | 1975.00 | NIST | |
| I | 2020.00 | NIST | |
| Tboil | 517.83 | K | Relay (1.0) Calculated Property |
| Tc | 724.63 | K | Relay (1.0) Calculated Property |
| Tfus | 282.60 | K | Relay (1.0) Calculated Property |
| Vc | 0.446 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 66.70 | kJ/mol | 298.15 | Standard molar enthalpy of formation of methoxyacetophenone isomers |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [158.03; 369.60] | 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 | 7.96000e+00 | |||
| Coefficient B | 6.29240e-01 | |||
| Coefficient C | -3.00260e-04 | |||
| Coefficient D | 3.26600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 158.03 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 194.44 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 227.38 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 256.96 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 283.28 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 306.44 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 326.55 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 343.71 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 358.03 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 369.60 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0017319; 0.0002248] | Pa×s | [302.29; 511.65] |
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 | -1.13482e+01 | |||
| Coefficient B | 1.50832e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 302.29 | |||
| Temperature range, max. | 511.65 | |||
| η | 0.0017319 | Pa×s | 302.29 | Calculated Property |
| η | 0.0012125 | Pa×s | 325.55 | Calculated Property |
| η | 0.0008902 | Pa×s | 348.81 | Calculated Property |
| η | 0.0006793 | Pa×s | 372.08 | Calculated Property |
| η | 0.0005352 | Pa×s | 395.34 | Calculated Property |
| η | 0.0004329 | Pa×s | 418.60 | Calculated Property |
| η | 0.0003581 | Pa×s | 441.86 | Calculated Property |
| η | 0.0003019 | Pa×s | 465.12 | Calculated Property |
| η | 0.0002587 | Pa×s | 488.38 | Calculated Property |
| η | 0.0002248 | Pa×s | 511.65 | Calculated Property |
Similar Compounds
Find more compounds similar to ortho-Methoxyacetophenone.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Standard molar enthalpy of formation of methoxyacetophenone isomers
- Henry s Law Constants of Some Aromatic Aldehydes and Ketones Measured by an Internal Standard Method
- Joback Method
- McGowan Method
- NIST Webbook
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