- InChI
- InChI=1S/C14H18O/c1-9(2)11-6-7-14(15)12-5-4-10(3)8-13(11)12/h4-5,8-9,11H,6-7H2,1-3H3
- InChI Key
- KIZXBPVAPQXAMH-UHFFFAOYSA-N
- Formula
- C14H18O
- SMILES
- Cc1ccc2c(c1)C(C(C)C)CCC2=O
- Molecular Weight1
- 202.29
- CAS
- 57494-10-7
- Other Names
-
- 4-Isopropyl-6-methyl-1,2,3,4-tetrahydronaphthalen-1-one
- 10-nor-Calamenen-10-one
- 4-Isopropyl-6-methyl-1-tetralone
- 4-Isopropyl-6-methyltetralone
- 4-Isopropyl-6-methyl-1,2,3,4-tetrahydronaphthalenone
- 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° | 83.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -195.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.30 | kJ/mol | Joback Calculated Property |
| log10WS | -4.28 | Crippen Calculated Property | |
| logPoct/wat | 3.711 | Crippen Calculated Property | |
| McVol | 175.070 | ml/mol | McGowan Calculated Property |
| Pc | 2349.64 | kPa | Joback Calculated Property |
| Inp | [1671.00; 1707.00] |
|
|
| Inp | 1705.00 | NIST | |
| Inp | 1700.00 | NIST | |
| Inp | 1700.00 | NIST | |
| Inp | 1707.00 | NIST | |
| Inp | 1684.00 | NIST | |
| Inp | 1671.00 | NIST | |
| Inp | 1678.00 | NIST | |
| I | [2407.00; 2419.00] |
|
|
| I | 2419.00 | NIST | |
| I | 2419.00 | NIST | |
| I | 2419.00 | NIST | |
| I | 2419.00 | NIST | |
| I | 2419.00 | NIST | |
| I | 2419.00 | NIST | |
| I | 2410.00 | NIST | |
| I | Outlier 2407.00 | NIST | |
| Tboil | 634.75 | K | Joback Calculated Property |
| Tc | 870.27 | K | Joback Calculated Property |
| Tfus | 366.64 | K | Joback Calculated Property |
| Vc | 0.661 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [465.33; 561.69] | J/mol×K | [634.75; 870.27] |
|
| Cp,gas | 465.33 | J/mol×K | 634.75 | Joback Calculated Property |
| Cp,gas | 484.30 | J/mol×K | 674.00 | Joback Calculated Property |
| Cp,gas | 502.07 | J/mol×K | 713.26 | Joback Calculated Property |
| Cp,gas | 518.66 | J/mol×K | 752.51 | Joback Calculated Property |
| Cp,gas | 534.11 | J/mol×K | 791.77 | Joback Calculated Property |
| Cp,gas | 548.44 | J/mol×K | 831.02 | Joback Calculated Property |
| Cp,gas | 561.69 | J/mol×K | 870.27 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Isopropyl-6-methyltetral-1-one.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.