- InChI
- InChI=1S/C10H14O/c1-5-9(4)6-7-10(11)8(2)3/h5H,1-2,4,6-7H2,3H3
- InChI Key
- YZWOKWMEQQCMRN-UHFFFAOYSA-N
- Formula
- C10H14O
- SMILES
- C=CC(=C)CCC(=O)C(=C)C
- Molecular Weight1
- 150.22
- CAS
- 41702-60-7
- Other Names
-
- 2,6-Dimethyleneoct-7-en-3-one
- 2-Methyl-6-methyleneocta-1,7-dien-3-one
- 2-Methyl-6-methylen-octa-1,7-dien-3-one
- 2-Methyl-6-methylene-1,7-octadien-3-one
- ω : Acentric Factor.
- 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).
- 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.
- 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 |
|---|---|---|---|
| ω | 0.4463 | Relay (... Calculated Property | |
| ΔfG° | 150.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -62.64 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 16.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.29 | kJ/mol | Relay (... Calculated Property |
| IE | 8.88 | eV | Relay (... Calculated Property |
| log10WS | -2.14 | Relay (... Calculated Property | |
| logPoct/wat | 2.654 | Crippen Calculated Property | |
| McVol | 140.430 | ml/mol | McGowan Calculated Property |
| Pc | 2553.34 | kPa | Joback Calculated Property |
| Inp | [1072.00; 1152.00] |
|
|
| Inp | Outlier 1072.00 | NIST | |
| Inp | 1131.90 | NIST | |
| Inp | 1103.90 | NIST | |
| Inp | 1152.00 | NIST | |
| Inp | 1124.00 | NIST | |
| Inp | 1122.00 | NIST | |
| Inp | 1119.00 | NIST | |
| Inp | 1117.00 | NIST | |
| Inp | 1117.00 | NIST | |
| Inp | 1121.00 | NIST | |
| Inp | 1107.00 | NIST | |
| Inp | 1152.00 | NIST | |
| Inp | 1124.00 | NIST | |
| Inp | 1117.00 | NIST | |
| I | [1345.00; 1345.00] |
|
|
| I | 1345.00 | NIST | |
| I | 1345.00 | NIST | |
| Tboil | 444.18 | K | Relay (... Calculated Property |
| Tc | 666.63 | K | Relay (... Calculated Property |
| Tfus | 253.80 | K | Relay (... Calculated Property |
| Vc | 0.504 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [289.52; 358.76] | J/mol×K | [471.87; 661.94] |
|
| Cp,gas | 289.52 | J/mol×K | 471.87 | Joback Calculated Property |
| Cp,gas | 302.67 | J/mol×K | 503.55 | Joback Calculated Property |
| Cp,gas | 315.14 | J/mol×K | 535.23 | Joback Calculated Property |
| Cp,gas | 326.96 | J/mol×K | 566.90 | Joback Calculated Property |
| Cp,gas | 338.14 | J/mol×K | 598.58 | Joback Calculated Property |
| Cp,gas | 348.74 | J/mol×K | 630.26 | Joback Calculated Property |
| Cp,gas | 358.76 | J/mol×K | 661.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,7-Octadien-3-one, 2-methyl-6-methylene-.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.