- InChI
- InChI=1S/C11H14O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3
- InChI Key
- XKGLSKVNOSHTAD-UHFFFAOYSA-N
- Formula
- C11H14O
- SMILES
- CCCCC(=O)c1ccccc1
- Molecular Weight1
- 162.23
- CAS
- 1009-14-9
- Other Names
-
- Valerophenone
- Butyl phenyl ketone
- 1-Phenyl-1-pentanone
- Pentanophenone
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.5035 | Relay (1.0) Calculated Property | |
| ΔfG° | 25.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -155.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.30 | eV | NIST |
| log10WS | -3.32 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.060 | Crippen Calculated Property | |
| McVol | 143.660 | ml/mol | McGowan Calculated Property |
| Pc | 2829.33 | kPa | Joback Calculated Property |
| Inp | [1327.00; 1380.00] |
|
|
| Inp | 1373.20 | NIST | |
| Inp | 1355.60 | NIST | |
| Inp | 1365.70 | NIST | |
| Inp | 1378.70 | NIST | |
| Inp | 1366.20 | NIST | |
| Inp | 1372.60 | NIST | |
| Inp | 1359.50 | NIST | |
| Inp | 1372.00 | NIST | |
| Inp | 1374.00 | NIST | |
| Inp | 1374.00 | NIST | |
| Inp | 1374.00 | NIST | |
| Inp | 1374.00 | NIST | |
| Inp | 1375.00 | NIST | |
| Inp | 1375.00 | NIST | |
| Inp | 1375.00 | NIST | |
| Inp | 1376.00 | NIST | |
| Inp | 1376.00 | NIST | |
| Inp | 1378.00 | NIST | |
| Inp | 1380.00 | NIST | |
| Inp | 1364.00 | NIST | |
| Inp | Outlier 1327.00 | NIST | |
| Inp | 1373.20 | NIST | |
| Inp | 1372.60 | NIST | |
| Tboil | 515.75 | K | Relay (1.0) Calculated Property |
| Tc | 722.99 | K | Relay (1.0) Calculated Property |
| Tfus | 271.30 | K | Relay (1.0) Calculated Property |
| Vc | 0.532 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 379.20 | K | 0.70 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [182.50; 457.32] | 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 | -3.36570e+01 | |||
| Coefficient B | 9.41920e-01 | |||
| Coefficient C | -5.87100e-04 | |||
| Coefficient D | 1.36160e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 182.50 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 232.12 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 275.97 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 314.46 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 348.05 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 377.15 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 402.20 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 423.62 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 441.85 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 457.32 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0031127; 0.0002606] | Pa×s | [290.08; 520.36] |
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 | -1.13770e+01 | |||
| Coefficient B | 1.62581e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 290.08 | |||
| Temperature range, max. | 520.36 | |||
| η | 0.0031127 | Pa×s | 290.08 | Calculated Property |
| η | 0.0019762 | Pa×s | 315.67 | Calculated Property |
| η | 0.0013431 | Pa×s | 341.25 | Calculated Property |
| η | 0.0009634 | Pa×s | 366.84 | Calculated Property |
| η | 0.0007216 | Pa×s | 392.43 | Calculated Property |
| η | 0.0005600 | Pa×s | 418.01 | Calculated Property |
| η | 0.0004475 | Pa×s | 443.60 | Calculated Property |
| η | 0.0003664 | Pa×s | 469.19 | Calculated Property |
| η | 0.0003063 | Pa×s | 494.77 | Calculated Property |
| η | 0.0002606 | Pa×s | 520.36 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Pentanone, 1-phenyl-.
Sources
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