- InChI
- InChI=1S/C14H12O2/c1-16-13-9-7-12(8-10-13)14(15)11-5-3-2-4-6-11/h2-10H,1H3
- InChI Key
- SWFHGTMLYIBPPA-UHFFFAOYSA-N
- Formula
- C14H12O2
- SMILES
- COc1ccc(C(=O)c2ccccc2)cc1
- Molecular Weight1
- 212.24
- CAS
- 611-94-9
- Other Names
-
- 4-Methoxybenzophenone
- Benzophenone, 4-methoxy-
- p-Methoxybenzophenone
- 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.
- 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 | 0.5886 | Relay (1.0) Calculated Property | |
| ΔfG° | 48.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -97.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.46 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.83 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.926 | Crippen Calculated Property | |
| McVol | 168.040 | ml/mol | McGowan Calculated Property |
| Pc | 2862.74 | kPa | Joback Calculated Property |
| Inp | 1874.00 | NIST | |
| Tboil | 628.20 | K | NIST |
| Tc | 849.29 | K | Relay (1.0) Calculated Property |
| Tfus | 334.90 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.614 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 627.70 | K | 97.20 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [206.84; 509.03] | 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 | -3.04900e+01 | |||
| Coefficient B | 1.02532e+00 | |||
| Coefficient C | -6.03460e-04 | |||
| Coefficient D | 1.17660e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 206.84 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 261.93 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 310.77 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 353.73 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 391.20 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 423.54 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 451.11 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 474.31 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 493.49 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 509.03 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0028176; 0.0001698] | Pa×s | [334.90; 628.81] |
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 | -1.18812e+01 | |||
| Coefficient B | 2.01254e+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. | 334.90 | |||
| Temperature range, max. | 628.81 | |||
| η | 0.0028176 | Pa×s | 334.90 | Calculated Property |
| η | 0.0016520 | Pa×s | 367.56 | Calculated Property |
| η | 0.0010567 | Pa×s | 400.21 | Calculated Property |
| η | 0.0007231 | Pa×s | 432.87 | Calculated Property |
| η | 0.0005219 | Pa×s | 465.53 | Calculated Property |
| η | 0.0003931 | Pa×s | 498.18 | Calculated Property |
| η | 0.0003066 | Pa×s | 530.84 | Calculated Property |
| η | 0.0002461 | Pa×s | 563.49 | Calculated Property |
| η | 0.0002024 | Pa×s | 596.15 | Calculated Property |
| η | 0.0001698 | Pa×s | 628.81 | Calculated Property |
Similar Compounds
Find more compounds similar to Methanone, (4-methoxyphenyl)phenyl-.
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
- Joback Method
- McGowan Method
- NIST Webbook
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