- InChI
- InChI=1S/C10H12O/c1-7-5-4-6-8(2)10(7)9(3)11/h4-6H,1-3H3
- InChI Key
- DDXBCZCBZGPSHD-UHFFFAOYSA-N
- Formula
- C10H12O
- SMILES
- CC(=O)c1c(C)cccc1C
- Molecular Weight1
- 148.21
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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 | 0.4669 | Relay (1.0) Calculated Property | |
| PAff | 857.00 | kJ/mol | NIST |
| BasG | 825.20 | kJ/mol | NIST |
| ΔfG° | -2.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -156.32 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.506 | Crippen Calculated Property | |
| McVol | 129.570 | ml/mol | McGowan Calculated Property |
| Pc | 3038.96 | kPa | Joback Calculated Property |
| Tboil | 499.52 | K | Relay (1.0) Calculated Property |
| Tc | 731.60 | K | Relay (1.0) Calculated Property |
| Tfus | 293.92 ± 0.25 | K | NIST |
| Vc | 0.471 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [166.39; 399.65] | 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 | -4.15000e+00 | |||
| Coefficient B | 7.27960e-01 | |||
| Coefficient C | -3.98620e-04 | |||
| Coefficient D | 7.44600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 166.39 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 206.79 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 243.02 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 275.32 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 303.92 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 329.05 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 350.96 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 369.87 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 386.02 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 399.65 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0019930; 0.0002467] | Pa×s | [293.92; 515.39] |
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 | -1.10804e+01 | |||
| Coefficient B | 1.42913e+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. | 293.92 | |||
| Temperature range, max. | 515.39 | |||
| η | 0.0019930 | Pa×s | 293.92 | Calculated Property |
| η | 0.0013689 | Pa×s | 318.53 | Calculated Property |
| η | 0.0009923 | Pa×s | 343.14 | Calculated Property |
| η | 0.0007509 | Pa×s | 367.74 | Calculated Property |
| η | 0.0005885 | Pa×s | 392.35 | Calculated Property |
| η | 0.0004747 | Pa×s | 416.96 | Calculated Property |
| η | 0.0003921 | Pa×s | 441.57 | Calculated Property |
| η | 0.0003306 | Pa×s | 466.17 | Calculated Property |
| η | 0.0002835 | Pa×s | 490.78 | Calculated Property |
| η | 0.0002467 | Pa×s | 515.39 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-(CH3)2C6H3-COCH3.
Sources
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