- InChI
- InChI=1S/C9H16O/c1-3-4-5-6-7-8-9(2)10/h7-8H,3-6H2,1-2H3
- InChI Key
- HDKLIZDXVUCLHQ-UHFFFAOYSA-N
- Formula
- C9H16O
- SMILES
- CCCCCC=CC(C)=O
- Molecular Weight1
- 140.22
- CAS
- 14309-57-0
- Other Names
-
- 3-Non-3-en-2-one
- non-3-en-2-one
- 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.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.4668 | Relay (1.0) Calculated Property | |
| ΔfG° | -23.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -269.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.68 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.712 | Crippen Calculated Property | |
| McVol | 134.940 | ml/mol | McGowan Calculated Property |
| Pc | 2584.59 | kPa | Joback Calculated Property |
| Inp | [1114.00; 1146.00] |
|
|
| Inp | 1114.00 | NIST | |
| Inp | 1116.00 | NIST | |
| Inp | 1114.00 | NIST | |
| Inp | 1114.00 | NIST | |
| Inp | 1144.00 | NIST | |
| Inp | 1119.00 | NIST | |
| Inp | 1136.00 | NIST | |
| Inp | 1136.00 | NIST | |
| Inp | 1135.00 | NIST | |
| Inp | 1141.00 | NIST | |
| Inp | 1144.00 | NIST | |
| Inp | 1137.00 | NIST | |
| Inp | 1142.00 | NIST | |
| Inp | 1114.00 | NIST | |
| Inp | 1146.00 | NIST | |
| Inp | 1119.00 | NIST | |
| Inp | 1144.00 | NIST | |
| Inp | 1114.00 | NIST | |
| I | [1495.00; 1547.00] |
|
|
| I | 1520.00 | NIST | |
| I | Outlier 1547.00 | NIST | |
| I | 1518.00 | NIST | |
| I | 1515.00 | NIST | |
| I | 1518.00 | NIST | |
| I | 1510.00 | NIST | |
| I | 1495.00 | NIST | |
| I | 1495.00 | NIST | |
| I | 1506.00 | NIST | |
| I | 1508.00 | NIST | |
| I | 1514.00 | NIST | |
| I | 1522.00 | NIST | |
| I | Outlier 1547.00 | NIST | |
| I | 1522.00 | NIST | |
| I | 1495.00 | NIST | |
| Tboil | 464.61 | K | Relay (1.0) Calculated Property |
| Tc | 657.75 | K | Relay (1.0) Calculated Property |
| Tfus | 237.93 | K | Relay (1.0) Calculated Property |
| Vc | 0.505 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 358.20 | K | 1.60 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [183.33; 442.08] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -1.21160e+01 | |||
| Coefficient B | 8.50840e-01 | |||
| Coefficient C | -5.30900e-04 | |||
| Coefficient D | 1.34260e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 183.33 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 228.39 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 268.38 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 303.73 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 334.86 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 362.20 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 386.17 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 407.18 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 425.68 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 442.08 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0041736; 0.0002551] | Pa×s | [236.04; 452.15] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.13267e+01 | |||
| Coefficient B | 1.38031e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 236.04 | |||
| Temperature range, max. | 452.15 | |||
| η | 0.0041736 | Pa×s | 236.04 | Calculated Property |
| η | 0.0024323 | Pa×s | 260.05 | Calculated Property |
| η | 0.0015529 | Pa×s | 284.07 | Calculated Property |
| η | 0.0010633 | Pa×s | 308.08 | Calculated Property |
| η | 0.0007691 | Pa×s | 332.09 | Calculated Property |
| η | 0.0005811 | Pa×s | 356.10 | Calculated Property |
| η | 0.0004549 | Pa×s | 380.12 | Calculated Property |
| η | 0.0003666 | Pa×s | 404.13 | Calculated Property |
| η | 0.0003027 | Pa×s | 428.14 | Calculated Property |
| η | 0.0002551 | Pa×s | 452.15 | Calculated Property |
Similar Compounds
![[2,3-2H2]-(E)-2-Octenal.](data:image/png;base64,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)
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