- InChI
- InChI=1S/C16H14O3/c1-11(17)13-3-7-15(8-4-13)19-16-9-5-14(6-10-16)12(2)18/h3-10H,1-2H3
- InChI Key
- GZRGHDIUPMPHCB-UHFFFAOYSA-N
- Formula
- C16H14O3
- SMILES
-
CC(=O)c1ccc(Oc2ccc(C(C)=O)cc2)
cc1 - Molecular Weight1
- 254.29
- 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).
- 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 | 0.7088 | Relay (1.0) Calculated Property | |
| ΔfG° | -73.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -334.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.884 | Crippen Calculated Property | |
| McVol | 197.790 | ml/mol | McGowan Calculated Property |
| Pc | 2467.81 | kPa | Joback Calculated Property |
| Tboil | 632.93 | K | Relay (1.0) Calculated Property |
| Tc | 904.98 | K | Relay (1.0) Calculated Property |
| Tfus | 398.74 | K | Relay (1.0) Calculated Property |
| Vc | 0.725 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [252.74; 598.19] | 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 | -1.06500e+01 | |||
| Coefficient B | 1.12784e+00 | |||
| Coefficient C | -6.26520e-04 | |||
| Coefficient D | 1.07520e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 252.74 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 314.70 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 369.97 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 418.89 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 461.81 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 499.06 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 530.98 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 557.92 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 580.21 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 598.19 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0008599; 0.0001617] | Pa×s | [470.05; 699.38] |
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 | -1.21555e+01 | |||
| Coefficient B | 2.39579e+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. | 470.05 | |||
| Temperature range, max. | 699.38 | |||
| η | 0.0008599 | Pa×s | 470.05 | Calculated Property |
| η | 0.0006617 | Pa×s | 495.53 | Calculated Property |
| η | 0.0005223 | Pa×s | 521.01 | Calculated Property |
| η | 0.0004215 | Pa×s | 546.49 | Calculated Property |
| η | 0.0003467 | Pa×s | 571.98 | Calculated Property |
| η | 0.0002900 | Pa×s | 597.46 | Calculated Property |
| η | 0.0002461 | Pa×s | 622.94 | Calculated Property |
| η | 0.0002116 | Pa×s | 648.42 | Calculated Property |
| η | 0.0001840 | Pa×s | 673.90 | Calculated Property |
| η | 0.0001617 | Pa×s | 699.38 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Acetylphenyl ether.
Sources
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