- InChI
- InChI=1S/C11H14O/c1-3-6-11(12)10-8-5-4-7-9(10)2/h4-5,7-8H,3,6H2,1-2H3
- InChI Key
- ALQIJXZCLUTTIY-UHFFFAOYSA-N
- Formula
- C11H14O
- SMILES
- CCCC(=O)c1ccccc1C
- Molecular Weight1
- 162.23
- 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).
- 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 | 0.4992 | Relay (1.0) Calculated Property | |
| ΔfG° | 15.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -166.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.978 | Crippen Calculated Property | |
| McVol | 143.660 | ml/mol | McGowan Calculated Property |
| Pc | 2784.72 | kPa | Joback Calculated Property |
| Inp | [1283.00; 1283.00] |
|
|
| Inp | 1283.00 | NIST | |
| Inp | 1283.00 | NIST | |
| Tboil | 511.82 | K | Relay (1.0) Calculated Property |
| Tc | 724.30 | K | Relay (1.0) Calculated Property |
| Tfus | 268.54 | K | Relay (1.0) Calculated Property |
| Vc | 0.529 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [185.05; 454.28] | 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 | -1.93580e+01 | |||
| Coefficient B | 8.82440e-01 | |||
| Coefficient C | -5.20060e-04 | |||
| Coefficient D | 1.11260e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 185.05 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 232.67 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 275.03 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 312.51 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 345.44 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 374.18 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 399.08 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 420.50 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 438.78 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 454.28 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0022892; 0.0002531] | Pa×s | [302.60; 524.63] |
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 | -1.12830e+01 | |||
| Coefficient B | 1.57455e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 302.60 | |||
| Temperature range, max. | 524.63 | |||
| η | 0.0022892 | Pa×s | 302.60 | Calculated Property |
| η | 0.0015464 | Pa×s | 327.27 | Calculated Property |
| η | 0.0011037 | Pa×s | 351.94 | Calculated Property |
| η | 0.0008234 | Pa×s | 376.61 | Calculated Property |
| η | 0.0006367 | Pa×s | 401.28 | Calculated Property |
| η | 0.0005073 | Pa×s | 425.95 | Calculated Property |
| η | 0.0004144 | Pa×s | 450.62 | Calculated Property |
| η | 0.0003456 | Pa×s | 475.29 | Calculated Property |
| η | 0.0002935 | Pa×s | 499.96 | Calculated Property |
| η | 0.0002531 | Pa×s | 524.63 | Calculated Property |
Similar Compounds
Find more compounds similar to 2'-Methylbutyrophenone.
Sources
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