- InChI
- InChI=1S/C10H12O/c1-3-9-5-4-6-10(7-9)8(2)11/h4-7H,3H2,1-2H3
- InChI Key
- ZRYRILAFFDKOPB-UHFFFAOYSA-N
- Formula
- C10H12O
- SMILES
- CCc1cccc(C(C)=O)c1
- Molecular Weight1
- 148.21
- Other Names
-
- 1-(3-Ethylphenyl)ethanone
- 3-Ethylacetophenone
- 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.
- Ip : 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 | 0.4679 | Relay (1.0) Calculated Property | |
| ΔfG° | 7.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -159.29 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.11 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.69 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.452 | Crippen Calculated Property | |
| McVol | 129.570 | ml/mol | McGowan Calculated Property |
| Pc | 3089.85 | kPa | Joback Calculated Property |
| Inp | [1186.00; 1210.00] |
|
|
| Inp | 1186.00 | NIST | |
| Inp | 1210.00 | NIST | |
| Ip | [1809.00; 1809.00] |
|
|
| Ip | 1809.00 | NIST | |
| Ip | 1809.00 | NIST | |
| Tboil | 506.28 | K | Relay (1.0) Calculated Property |
| Tc | 719.65 | K | Relay (1.0) Calculated Property |
| Tfus | 250.89 | K | Relay (1.0) Calculated Property |
| Vc | 0.481 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [163.84; 402.69] | 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 | -1.84490e+01 | |||
| Coefficient B | 7.87440e-01 | |||
| Coefficient C | -4.65660e-04 | |||
| Coefficient D | 9.93600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 163.84 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 206.25 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 243.96 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 277.28 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 306.53 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 332.02 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 354.07 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 372.99 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 389.09 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 402.69 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0022588; 0.0002541] | Pa×s | [291.33; 511.08] |
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 | -1.11744e+01 | |||
| Coefficient B | 1.48039e+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. | 291.33 | |||
| Temperature range, max. | 511.08 | |||
| η | 0.0022588 | Pa×s | 291.33 | Calculated Property |
| η | 0.0015249 | Pa×s | 315.75 | Calculated Property |
| η | 0.0010891 | Pa×s | 340.16 | Calculated Property |
| η | 0.0008138 | Pa×s | 364.58 | Calculated Property |
| η | 0.0006307 | Pa×s | 388.99 | Calculated Property |
| η | 0.0005037 | Pa×s | 413.41 | Calculated Property |
| η | 0.0004125 | Pa×s | 437.83 | Calculated Property |
| η | 0.0003451 | Pa×s | 462.24 | Calculated Property |
| η | 0.0002938 | Pa×s | 486.66 | Calculated Property |
| η | 0.0002541 | Pa×s | 511.08 | Calculated Property |
Similar Compounds
Find more compounds similar to 3'-ETHYLACETOPHENONE.
Sources
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