- InChI
- InChI=1S/C14H20O/c1-6-7-14(15)13-8-9(2)10(3)11(4)12(13)5/h8H,6-7H2,1-5H3
- InChI Key
- KYCSTHBXFQOETE-UHFFFAOYSA-N
- Formula
- C14H20O
- SMILES
- CCCC(=O)c1cc(C)c(C)c(C)c1C
- Molecular Weight1
- 204.31
- CAS
- 69855-49-8
- 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° | 11.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -254.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.43 | kJ/mol | Joback Calculated Property |
| log10WS | -4.87 | Crippen Calculated Property | |
| logPoct/wat | 3.903 | Crippen Calculated Property | |
| McVol | 185.930 | ml/mol | McGowan Calculated Property |
| Pc | 2014.51 | kPa | Joback Calculated Property |
| Inp | [1660.00; 1660.00] |
|
|
| Inp | 1660.00 | NIST | |
| Inp | 1660.00 | NIST | |
| Tboil | 620.19 | K | Joback Calculated Property |
| Tc | 825.80 | K | Joback Calculated Property |
| Tfus | 373.97 | K | Joback Calculated Property |
| Vc | 0.718 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [465.97; 549.43] | J/mol×K | [620.19; 825.80] |
|
| Cp,gas | 465.97 | J/mol×K | 620.19 | Joback Calculated Property |
| Cp,gas | 481.82 | J/mol×K | 654.46 | Joback Calculated Property |
| Cp,gas | 496.87 | J/mol×K | 688.73 | Joback Calculated Property |
| Cp,gas | 511.14 | J/mol×K | 723.00 | Joback Calculated Property |
| Cp,gas | 524.64 | J/mol×K | 757.27 | Joback Calculated Property |
| Cp,gas | 537.40 | J/mol×K | 791.53 | Joback Calculated Property |
| Cp,gas | 549.43 | J/mol×K | 825.80 | Joback Calculated Property |
| η | [0.0001803; 0.0010996] | Pa×s | [373.97; 620.19] |
|
| η | 0.0010996 | Pa×s | 373.97 | Joback Calculated Property |
| η | 0.0007009 | Pa×s | 415.01 | Joback Calculated Property |
| η | 0.0004844 | Pa×s | 456.04 | Joback Calculated Property |
| η | 0.0003559 | Pa×s | 497.08 | Joback Calculated Property |
| η | 0.0002741 | Pa×s | 538.12 | Joback Calculated Property |
| η | 0.0002190 | Pa×s | 579.15 | Joback Calculated Property |
| η | 0.0001803 | Pa×s | 620.19 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-(2,3,4,5-Tetramethylphenyl)-1-butanone.
Sources
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