- InChI
- InChI=1S/C15H22O/c1-12-7-5-9-14(11-12)15(3,4)10-6-8-13(2)16/h5,7,9,11H,6,8,10H2,1-4H3
- InChI Key
- AUFVFYVDFCCOQQ-UHFFFAOYSA-N
- Formula
- C15H22O
- SMILES
- CC(=O)CCCC(C)(C)c1cccc(C)c1
- Molecular Weight1
- 218.33
- Other Names
-
- 2-Heptanone, 6-methyl-6-(3-methylphenyl)
- 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.
- 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 | 0.5543 | Relay (1.0) Calculated Property | |
| ΔfG° | 52.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -259.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.95 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.34 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.032 | Crippen Calculated Property | |
| McVol | 200.020 | ml/mol | McGowan Calculated Property |
| Pc | 1957.87 | kPa | Joback Calculated Property |
| Inp | [1630.00; 1630.00] |
|
|
| Inp | 1630.00 | NIST | |
| Inp | 1630.00 | NIST | |
| Tboil | 568.01 | K | Relay (1.0) Calculated Property |
| Tc | 775.13 | K | Relay (1.0) Calculated Property |
| Tfus | 300.11 | K | Relay (1.0) Calculated Property |
| Vc | 0.705 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [521.24; 612.35] | J/mol×K | [624.90; 836.01] |
|
| Cp,gas | 521.24 | J/mol×K | 624.90 | Joback Calculated Property |
| Cp,gas | 539.02 | J/mol×K | 660.08 | Joback Calculated Property |
| Cp,gas | 555.69 | J/mol×K | 695.27 | Joback Calculated Property |
| Cp,gas | 571.29 | J/mol×K | 730.45 | Joback Calculated Property |
| Cp,gas | 585.90 | J/mol×K | 765.64 | Joback Calculated Property |
| Cp,gas | 599.56 | J/mol×K | 800.82 | Joback Calculated Property |
| Cp,gas | 612.35 | J/mol×K | 836.01 | Joback Calculated Property |
| η | [0.0001494; 0.0023446] | Pa×s | [350.10; 624.90] |
|
| η | 0.0023446 | Pa×s | 350.10 | Joback Calculated Property |
| η | 0.0011364 | Pa×s | 395.90 | Joback Calculated Property |
| η | 0.0006401 | Pa×s | 441.70 | Joback Calculated Property |
| η | 0.0004016 | Pa×s | 487.50 | Joback Calculated Property |
| η | 0.0002730 | Pa×s | 533.30 | Joback Calculated Property |
| η | 0.0001972 | Pa×s | 579.10 | Joback Calculated Property |
| η | 0.0001494 | Pa×s | 624.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Methyl-6-(3-methylphenyl)-2-heptanone.
Sources
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