- InChI
- InChI=1S/C9H10O2/c1-11-7-9(10)8-5-3-2-4-6-8/h2-6H,7H2,1H3
- InChI Key
- YRNDGUSDBCARGC-UHFFFAOYSA-N
- Formula
- C9H10O2
- SMILES
- COCC(=O)c1ccccc1
- Molecular Weight1
- 150.18
- Other Names
-
- 2-methoxyacetophenone
- acetophenone, 2-methoxy-
- methoxymethyl phenyl ketone
- «alpha»-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).
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.4646 | Relay (1.0) Calculated Property | |
| ΔfG° | -96.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -215.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.43 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.60 ± 0.05 | eV | NIST |
| log10WS | -1.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.516 | Crippen Calculated Property | |
| McVol | 121.350 | ml/mol | McGowan Calculated Property |
| Pc | 3439.94 | kPa | Joback Calculated Property |
| Tboil | 511.98 | K | Relay (1.0) Calculated Property |
| Tc | 718.22 | K | Relay (1.0) Calculated Property |
| Tfus | 281.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.433 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 395.70 | K | 2.40 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [155.48; 372.64] | 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 | -6.33900e+00 | |||
| Coefficient B | 6.88720e-01 | |||
| Coefficient C | -3.67300e-04 | |||
| Coefficient D | 5.75600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 155.48 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 193.89 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 228.31 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 258.92 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 285.89 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 309.41 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 329.66 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 346.83 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 361.10 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 372.64 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0027531; 0.0002322] | Pa×s | [281.15; 507.32] |
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 | -1.14422e+01 | |||
| Coefficient B | 1.55958e+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. | 281.15 | |||
| Temperature range, max. | 507.32 | |||
| η | 0.0027531 | Pa×s | 281.15 | Calculated Property |
| η | 0.0017464 | Pa×s | 306.28 | Calculated Property |
| η | 0.0011870 | Pa×s | 331.41 | Calculated Property |
| η | 0.0008520 | Pa×s | 356.54 | Calculated Property |
| η | 0.0006388 | Pa×s | 381.67 | Calculated Property |
| η | 0.0004963 | Pa×s | 406.80 | Calculated Property |
| η | 0.0003970 | Pa×s | 431.93 | Calculated Property |
| η | 0.0003256 | Pa×s | 457.06 | Calculated Property |
| η | 0.0002725 | Pa×s | 482.19 | Calculated Property |
| η | 0.0002322 | Pa×s | 507.32 | Calculated Property |
Similar Compounds
Find more compounds similar to .alpha.-Methoxyacetophenone.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Partition Coefficients of Organic Solutes between Supercritical Carbon Dioxide and Water: Experimental Measurements and Empirical Correlations
- Joback Method
- McGowan Method
- NIST Webbook
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