- 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
- CAS
- 35028-06-9
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 15.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -157.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.76 | kJ/mol | Joback Calculated Property |
| log10WS | -3.44 | Crippen 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 | 536.61 | K | Joback Calculated Property |
| Tc | 749.19 | K | Joback Calculated Property |
| Tfus | 302.60 | K | Joback Calculated Property |
| Vc | 0.549 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [321.61; 396.64] | J/mol×K | [536.61; 749.19] |
|
| Cp,gas | 321.61 | J/mol×K | 536.61 | Joback Calculated Property |
| Cp,gas | 336.08 | J/mol×K | 572.04 | Joback Calculated Property |
| Cp,gas | 349.73 | J/mol×K | 607.47 | Joback Calculated Property |
| Cp,gas | 362.58 | J/mol×K | 642.90 | Joback Calculated Property |
| Cp,gas | 374.66 | J/mol×K | 678.33 | Joback Calculated Property |
| Cp,gas | 386.00 | J/mol×K | 713.76 | Joback Calculated Property |
| Cp,gas | 396.64 | J/mol×K | 749.19 | Joback Calculated Property |
| η | [0.0002367; 0.0022892] | Pa×s | [302.60; 536.61] |
|
| η | 0.0022892 | Pa×s | 302.60 | Joback Calculated Property |
| η | 0.0012638 | Pa×s | 341.60 | Joback Calculated Property |
| η | 0.0007880 | Pa×s | 380.60 | Joback Calculated Property |
| η | 0.0005365 | Pa×s | 419.60 | Joback Calculated Property |
| η | 0.0003899 | Pa×s | 458.61 | Joback Calculated Property |
| η | 0.0002979 | Pa×s | 497.61 | Joback Calculated Property |
| η | 0.0002367 | Pa×s | 536.61 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2'-Methylbutyrophenone.
Sources
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