- InChI
- InChI=1S/C12H14O/c1-8-3-5-10-9(2)4-6-12(13)11(10)7-8/h3,5,7,9H,4,6H2,1-2H3
- InChI Key
- SQESYXTWWGWCFK-UHFFFAOYSA-N
- Formula
- C12H14O
- SMILES
- Cc1ccc2c(c1)C(=O)CCC2C
- Molecular Weight1
- 174.24
- Other Names
-
- 4,7-Dimethyltetral-1-one
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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.
- 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 |
|---|---|---|---|
| ΔfG° | 69.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -148.48 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.24 | kJ/mol | Joback Calculated Property |
| log10WS | -3.69 | Crippen Calculated Property | |
| logPoct/wat | 3.075 | Crippen Calculated Property | |
| McVol | 146.890 | ml/mol | McGowan Calculated Property |
| Pc | 2832.35 | kPa | Joback Calculated Property |
| Inp | 1509.00 | NIST | |
| I | [2264.00; 2266.00] |
|
|
| I | 2264.00 | NIST | |
| I | 2264.00 | NIST | |
| I | 2264.00 | NIST | |
| I | 2264.00 | NIST | |
| I | 2266.00 | NIST | |
| Tboil | 589.43 | K | Joback Calculated Property |
| Tc | 829.72 | K | Joback Calculated Property |
| Tfus | 359.10 | K | Joback Calculated Property |
| Vc | 0.555 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [364.04; 452.72] | J/mol×K | [589.43; 829.72] |
|
| Cp,gas | 364.04 | J/mol×K | 589.43 | Joback Calculated Property |
| Cp,gas | 381.43 | J/mol×K | 629.48 | Joback Calculated Property |
| Cp,gas | 397.74 | J/mol×K | 669.53 | Joback Calculated Property |
| Cp,gas | 413.00 | J/mol×K | 709.57 | Joback Calculated Property |
| Cp,gas | 427.23 | J/mol×K | 749.62 | Joback Calculated Property |
| Cp,gas | 440.46 | J/mol×K | 789.67 | Joback Calculated Property |
| Cp,gas | 452.72 | J/mol×K | 829.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4,7-Dimethyl-1-tetralone.
Sources
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