- InChI
- InChI=1S/C14H20O/c1-11-7-9-14(10-8-11)12(2)5-4-6-13(3)15/h7-10,12H,4-6H2,1-3H3
- InChI Key
- URMNPIAGMIVNMU-UHFFFAOYSA-N
- Formula
- C14H20O
- SMILES
- CC(=O)CCCC(C)c1ccc(C)cc1
- Molecular Weight1
- 204.31
- 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.
- I : 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 |
|---|---|---|---|
| ω | 0.5595 | Relay (... Calculated Property | |
| ΔfG° | 38.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -247.49 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 23.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.58 | kJ/mol | Relay (... Calculated Property |
| IE | 8.28 | eV | Relay (... Calculated Property |
| log10WS | -3.47 | Relay (... Calculated Property | |
| logPoct/wat | 3.858 | Crippen Calculated Property | |
| McVol | 185.930 | ml/mol | McGowan Calculated Property |
| Pc | 2113.89 | kPa | Joback Calculated Property |
| Inp | [1561.00; 1561.00] |
|
|
| Inp | 1561.00 | NIST | |
| Inp | 1561.00 | NIST | |
| I | [2211.00; 2211.00] |
|
|
| I | 2211.00 | NIST | |
| I | 2211.00 | NIST | |
| Tboil | 566.32 | K | Relay (... Calculated Property |
| Tc | 763.18 | K | Relay (... Calculated Property |
| Tfus | 308.45 | K | Relay (... Calculated Property |
| Vc | 0.660 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [467.19; 554.69] | J/mol×K | [604.81; 811.67] |
|
| Cp,gas | 467.19 | J/mol×K | 604.81 | Joback Calculated Property |
| Cp,gas | 484.06 | J/mol×K | 639.29 | Joback Calculated Property |
| Cp,gas | 499.97 | J/mol×K | 673.76 | Joback Calculated Property |
| Cp,gas | 514.95 | J/mol×K | 708.24 | Joback Calculated Property |
| Cp,gas | 529.04 | J/mol×K | 742.72 | Joback Calculated Property |
| Cp,gas | 542.27 | J/mol×K | 777.19 | Joback Calculated Property |
| Cp,gas | 554.69 | J/mol×K | 811.67 | Joback Calculated Property |
| η | [0.0001751; 0.0027727] | Pa×s | [321.41; 604.81] |
|
| η | 0.0027727 | Pa×s | 321.41 | Joback Calculated Property |
| η | 0.0013027 | Pa×s | 368.64 | Joback Calculated Property |
| η | 0.0007266 | Pa×s | 415.88 | Joback Calculated Property |
| η | 0.0004566 | Pa×s | 463.11 | Joback Calculated Property |
| η | 0.0003126 | Pa×s | 510.34 | Joback Calculated Property |
| η | 0.0002283 | Pa×s | 557.58 | Joback Calculated Property |
| η | 0.0001751 | Pa×s | 604.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-p-Tolylheptan-2-one.
Sources
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