- InChI
- InChI=1S/C10H12O/c1-2-6-10(11)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
- InChI Key
- FFSAXUULYPJSKH-UHFFFAOYSA-N
- Formula
- C10H12O
- SMILES
- CCCC(=O)c1ccccc1
- Molecular Weight1
- 148.20
- CAS
- 495-40-9
- Other Names
-
- Butyrophenone
- n-Butyrophenone
- Phenyl propyl ketone
- Propyl phenyl ketone
- 1-Phenyl-1-butanone
- ΔcH°liquid : Standard liquid enthalpy of combustion (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).
- ΔfH°liquid : Liquid phase 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.
- I : 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 |
|---|---|---|---|
| ΔcH°liquid | -5461.30 ± 1.70 | kJ/mol | NIST |
| ΔfG° | 16.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -125.78 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | -188.80 ± 1.90 | kJ/mol | NIST |
| ΔfusH° | 17.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.88 | kJ/mol | Joback Calculated Property |
| IE | [9.08; 9.40] | eV |
|
| IE | 9.10 ± 0.10 | eV | NIST |
| IE | 9.08 | eV | NIST |
| IE | 9.40 ± 0.20 | eV | NIST |
| log10WS | -2.97 | Crippen Calculated Property | |
| logPoct/wat | 2.669 | Crippen Calculated Property | |
| McVol | 129.570 | ml/mol | McGowan Calculated Property |
| Pc | 3142.03 | kPa | Joback Calculated Property |
| Inp | [1240.00; 1285.00] |
|
|
| Inp | 1240.00 | NIST | |
| Inp | 1253.00 | NIST | |
| Inp | 1285.00 | NIST | |
| Inp | 1267.90 | NIST | |
| Inp | 1252.20 | NIST | |
| Inp | 1261.00 | NIST | |
| Inp | 1275.60 | NIST | |
| Inp | 1265.30 | NIST | |
| Inp | 1270.20 | NIST | |
| Inp | 1259.00 | NIST | |
| Inp | 1240.00 | NIST | |
| Inp | 1240.00 | NIST | |
| I | [1792.00; 1793.00] |
|
|
| I | 1793.00 | NIST | |
| I | 1792.00 | NIST | |
| Tboil | 501.70 | K | NIST |
| Tc | 723.65 | K | Joback Calculated Property |
| Tfus | 278.81 | K | Joback Calculated Property |
| Vc | 0.493 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [276.61; 348.26] | J/mol×K | [508.75; 723.65] |
|
| Cp,gas | 276.61 | J/mol×K | 508.75 | Joback Calculated Property |
| Cp,gas | 290.55 | J/mol×K | 544.57 | Joback Calculated Property |
| Cp,gas | 303.65 | J/mol×K | 580.38 | Joback Calculated Property |
| Cp,gas | 315.93 | J/mol×K | 616.20 | Joback Calculated Property |
| Cp,gas | 327.44 | J/mol×K | 652.02 | Joback Calculated Property |
| Cp,gas | 338.20 | J/mol×K | 687.83 | Joback Calculated Property |
| Cp,gas | 348.26 | J/mol×K | 723.65 | Joback Calculated Property |
| η | [0.0002592; 0.0031046] | Pa×s | [278.81; 508.75] |
|
| η | 0.0031046 | Pa×s | 278.81 | Joback Calculated Property |
| η | 0.0015984 | Pa×s | 317.13 | Joback Calculated Property |
| η | 0.0009496 | Pa×s | 355.46 | Joback Calculated Property |
| η | 0.0006244 | Pa×s | 393.78 | Joback Calculated Property |
| η | 0.0004422 | Pa×s | 432.10 | Joback Calculated Property |
| η | 0.0003313 | Pa×s | 470.43 | Joback Calculated Property |
| η | 0.0002592 | Pa×s | 508.75 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 395.00 ± 1.00 | K | 2.70 | NIST |
Similar Compounds
Find more compounds similar to 1-Butanone, 1-phenyl-.
Sources
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