- InChI
- InChI=1S/C10H18O/c1-7(2)9(5)6-10(11)8(3)4/h6-8H,1-5H3/b9-6+
- InChI Key
- BHUQHYIULGGWLZ-RMKNXTFCSA-N
- Formula
- C10H18O
- SMILES
- CC(=CC(=O)C(C)C)C(C)C
- Molecular Weight1
- 154.25
- CAS
- 16466-21-0
- Other Names
-
- 2,5,6-Trimethyl-4-hepten-3-one
- 2,3,6-trimethyl-3-heptene-5-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).
- 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° | -28.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -265.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.86 | kJ/mol | Joback Calculated Property |
| log10WS | -2.66 | Crippen Calculated Property | |
| logPoct/wat | 2.814 | Crippen Calculated Property | |
| McVol | 149.030 | ml/mol | McGowan Calculated Property |
| Pc | 2398.22 | kPa | Joback Calculated Property |
| Tboil | 485.23 | K | Joback Calculated Property |
| Tc | 677.16 | K | Joback Calculated Property |
| Tfus | 203.35 | K | Joback Calculated Property |
| Vc | 0.571 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [325.51; 405.62] | J/mol×K | [485.23; 677.16] | 
|
| Cp,gas | 325.51 | J/mol×K | 485.23 | Joback Calculated Property |
| Cp,gas | 340.64 | J/mol×K | 517.22 | Joback Calculated Property |
| Cp,gas | 355.02 | J/mol×K | 549.21 | Joback Calculated Property |
| Cp,gas | 368.68 | J/mol×K | 581.19 | Joback Calculated Property |
| Cp,gas | 381.65 | J/mol×K | 613.18 | Joback Calculated Property |
| Cp,gas | 393.95 | J/mol×K | 645.17 | Joback Calculated Property |
| Cp,gas | 405.62 | J/mol×K | 677.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Hepten-3-one, 2,5,6-trimethyl-.
Sources
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