- InChI
- InChI=1S/C8H14O/c1-4-7(2)5-6-8(3)9/h4,7H,1,5-6H2,2-3H3
- InChI Key
- PGDGAJMRMWVTTA-UHFFFAOYSA-N
- Formula
- C8H14O
- SMILES
- C=CC(C)CCC(C)=O
- Molecular Weight1
- 126.20
- 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 | 0.3856 | Relay (... Calculated Property | |
| ΔfG° | -27.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -238.84 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 13.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.89 | kJ/mol | Relay (... Calculated Property |
| IE | 9.23 | eV | Relay (... Calculated Property |
| log10WS | -1.51 | Relay (... Calculated Property | |
| logPoct/wat | 2.178 | Crippen Calculated Property | |
| McVol | 120.850 | ml/mol | McGowan Calculated Property |
| Pc | 2850.52 | kPa | Joback Calculated Property |
| Inp | [982.00; 988.00] |
|
|
| Inp | 988.00 | NIST | |
| Inp | 982.00 | NIST | |
| Inp | 982.00 | NIST | |
| Inp | 988.00 | NIST | |
| Tboil | 436.75 | K | Relay (... Calculated Property |
| Tc | 604.27 | K | Relay (... Calculated Property |
| Tfus | 227.62 | K | Relay (... Calculated Property |
| Vc | 0.423 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [239.57; 305.33] | J/mol×K | [432.55; 615.62] |
|
| Cp,gas | 239.57 | J/mol×K | 432.55 | Joback Calculated Property |
| Cp,gas | 251.83 | J/mol×K | 463.06 | Joback Calculated Property |
| Cp,gas | 263.55 | J/mol×K | 493.57 | Joback Calculated Property |
| Cp,gas | 274.75 | J/mol×K | 524.08 | Joback Calculated Property |
| Cp,gas | 285.43 | J/mol×K | 554.59 | Joback Calculated Property |
| Cp,gas | 295.62 | J/mol×K | 585.10 | Joback Calculated Property |
| Cp,gas | 305.33 | J/mol×K | 615.62 | Joback Calculated Property |
| η | [0.0002805; 0.0059449] | Pa×s | [213.09; 432.55] |
|
| η | 0.0059449 | Pa×s | 213.09 | Joback Calculated Property |
| η | 0.0024614 | Pa×s | 249.67 | Joback Calculated Property |
| η | 0.0012767 | Pa×s | 286.24 | Joback Calculated Property |
| η | 0.0007685 | Pa×s | 322.82 | Joback Calculated Property |
| η | 0.0005129 | Pa×s | 359.40 | Joback Calculated Property |
| η | 0.0003689 | Pa×s | 395.97 | Joback Calculated Property |
| η | 0.0002805 | Pa×s | 432.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hept-6-en-2-one, 5-methyl.
Sources
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