- InChI
- InChI=1S/C13H18O/c1-3-4-5-6-12-7-9-13(10-8-12)11(2)14/h7-10H,3-6H2,1-2H3
- InChI Key
- KBKGPMDADJLBEM-UHFFFAOYSA-N
- Formula
- C13H18O
- SMILES
- CCCCCc1ccc(C(C)=O)cc1
- Molecular Weight1
- 190.28
- CAS
- 37593-02-5
- Other Names
-
- p-n-Pentylacetophenone
- Acetophenone, 4'-pentyl-
- Ethanone, 1-(4-pentylphenyl)-
- 4'-Pentylacetophenone
- 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).
- 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 | 0.6028 | Relay (1.0) Calculated Property | |
| ΔfG° | 32.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -216.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.12 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.622 | Crippen Calculated Property | |
| McVol | 171.840 | ml/mol | McGowan Calculated Property |
| Pc | 2295.91 | kPa | Joback Calculated Property |
| Tboil | 560.06 | K | Relay (1.0) Calculated Property |
| Tc | 761.47 | K | Relay (1.0) Calculated Property |
| Tfus | 268.42 | K | Relay (1.0) Calculated Property |
| Vc | 0.645 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [416.87; 499.68] | J/mol×K | [582.57; 788.54] | 
|
| Cp,gas | 416.87 | J/mol×K | 582.57 | Joback Calculated Property |
| Cp,gas | 432.80 | J/mol×K | 616.90 | Joback Calculated Property |
| Cp,gas | 447.83 | J/mol×K | 651.23 | Joback Calculated Property |
| Cp,gas | 462.00 | J/mol×K | 685.55 | Joback Calculated Property |
| Cp,gas | 475.35 | J/mol×K | 719.88 | Joback Calculated Property |
| Cp,gas | 487.90 | J/mol×K | 754.21 | Joback Calculated Property |
| Cp,gas | 499.68 | J/mol×K | 788.54 | Joback Calculated Property |
| η | [0.0002044; 0.0022438] | Pa×s | [325.14; 582.57] |
|
| η | 0.0022438 | Pa×s | 325.14 | Joback Calculated Property |
| η | 0.0011926 | Pa×s | 368.04 | Joback Calculated Property |
| η | 0.0007233 | Pa×s | 410.95 | Joback Calculated Property |
| η | 0.0004821 | Pa×s | 453.85 | Joback Calculated Property |
| η | 0.0003447 | Pa×s | 496.76 | Joback Calculated Property |
| η | 0.0002600 | Pa×s | 539.66 | Joback Calculated Property |
| η | 0.0002044 | Pa×s | 582.57 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 405.50 ± 0.50 | K | 0.50 | NIST |
Similar Compounds
Find more compounds similar to p-Pentylacetophenone.
Sources
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