- InChI
- InChI=1S/C10H11ClO/c11-8-4-7-10(12)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
- InChI Key
- GHEFQKHLHFXSBR-UHFFFAOYSA-N
- Formula
- C10H11ClO
- SMILES
- O=C(CCCCl)c1ccccc1
- Molecular Weight1
- 182.65
- Other Names
-
- «omega»-Chlorobutyrophenone
- 1-Butanone, 4-chloro-1-phenyl-
- 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 | 0.5069 | Relay (1.0) Calculated Property | |
| ΔfG° | 4.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -157.96 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.61 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.888 | Crippen Calculated Property | |
| McVol | 141.810 | ml/mol | McGowan Calculated Property |
| Pc | 3015.64 | kPa | Joback Calculated Property |
| Tboil | 540.30 | K | Relay (1.0) Calculated Property |
| Tc | 770.59 | K | Relay (1.0) Calculated Property |
| Tfus | 286.98 | K | Relay (1.0) Calculated Property |
| Vc | 0.501 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [174.69; 414.00] | 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 | -1.98570e+01 | |||
| Coefficient B | 8.53700e-01 | |||
| Coefficient C | -5.53100e-04 | |||
| Coefficient D | 1.33260e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 174.69 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 218.84 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 257.61 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 291.43 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 320.73 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 345.91 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 367.41 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 385.65 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 401.04 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 414.00 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0029165; 0.0002807] | Pa×s | [308.73; 536.33] |
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 | -1.13534e+01 | |||
| Coefficient B | 1.70297e+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. | 308.73 | |||
| Temperature range, max. | 536.33 | |||
| η | 0.0029165 | Pa×s | 308.73 | Calculated Property |
| η | 0.0019208 | Pa×s | 334.02 | Calculated Property |
| η | 0.0013417 | Pa×s | 359.31 | Calculated Property |
| η | 0.0009824 | Pa×s | 384.60 | Calculated Property |
| η | 0.0007476 | Pa×s | 409.88 | Calculated Property |
| η | 0.0005872 | Pa×s | 435.17 | Calculated Property |
| η | 0.0004737 | Pa×s | 460.46 | Calculated Property |
| η | 0.0003907 | Pa×s | 485.75 | Calculated Property |
| η | 0.0003285 | Pa×s | 511.04 | Calculated Property |
| η | 0.0002807 | Pa×s | 536.33 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-CHLOROBUTYROPHENONE.
Sources
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