- InChI
- InChI=1S/C10H12O2/c1-2-12-8-10(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
- InChI Key
- RBMWDBHKRZTOMB-UHFFFAOYSA-N
- Formula
- C10H12O2
- SMILES
- CCOCC(=O)c1ccccc1
- Molecular Weight1
- 164.20
- CAS
- 14869-39-7
- 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 | 0.4943 | Relay (1.0) Calculated Property | |
| ΔfG° | -88.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -250.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.78 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.906 | Crippen Calculated Property | |
| McVol | 135.440 | ml/mol | McGowan Calculated Property |
| Pc | 3082.99 | kPa | Joback Calculated Property |
| Tboil | 523.98 | K | Relay (1.0) Calculated Property |
| Tc | 723.93 | K | Relay (1.0) Calculated Property |
| Tfus | 285.05 | K | Relay (1.0) Calculated Property |
| Vc | 0.488 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [176.69; 424.23] | 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 | -7.24800e+00 | |||
| Coefficient B | 7.83720e-01 | |||
| Coefficient C | -4.21700e-04 | |||
| Coefficient D | 6.94600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 176.69 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 220.31 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 259.39 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 294.14 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 324.80 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 351.57 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 374.68 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 394.35 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 410.79 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 424.23 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0023380; 0.0002301] | Pa×s | [301.04; 520.89] |
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 | -1.15519e+01 | |||
| Coefficient B | 1.65374e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 301.04 | |||
| Temperature range, max. | 520.89 | |||
| η | 0.0023380 | Pa×s | 301.04 | Calculated Property |
| η | 0.0015480 | Pa×s | 325.47 | Calculated Property |
| η | 0.0010857 | Pa×s | 349.90 | Calculated Property |
| η | 0.0007976 | Pa×s | 374.32 | Calculated Property |
| η | 0.0006085 | Pa×s | 398.75 | Calculated Property |
| η | 0.0004789 | Pa×s | 423.18 | Calculated Property |
| η | 0.0003869 | Pa×s | 447.61 | Calculated Property |
| η | 0.0003196 | Pa×s | 472.03 | Calculated Property |
| η | 0.0002690 | Pa×s | 496.46 | Calculated Property |
| η | 0.0002301 | Pa×s | 520.89 | Calculated Property |
Similar Compounds
Find more compounds similar to Ethanone, 2-ethoxy-1-phenyl-.
Sources
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