- InChI
- InChI=1S/C6H10O/c1-3-5-6(7)4-2/h3H,1,4-5H2,2H3
- InChI Key
- RUJLJMUWUVTHEU-UHFFFAOYSA-N
- Formula
- C6H10O
- SMILES
- C=CCC(=O)CC
- Molecular Weight1
- 98.14
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- 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 | 0.3010 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -3591.00 | kJ/mol | NIST |
| ΔfG° | -41.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -158.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.542 | Crippen Calculated Property | |
| McVol | 92.670 | ml/mol | McGowan Calculated Property |
| Pc | 3505.43 | kPa | Joback Calculated Property |
| Tboil | 392.59 | K | Relay (1.0) Calculated Property |
| Tc | 587.12 | K | Relay (1.0) Calculated Property |
| Tfus | 234.06 | K | Relay (1.0) Calculated Property |
| Vc | 0.329 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [123.88; 289.38] | 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 | 1.80200e+00 | |||
| Coefficient B | 5.25820e-01 | |||
| Coefficient C | -3.06800e-04 | |||
| Coefficient D | 6.85600e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 123.88 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 152.46 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 177.99 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 200.68 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 220.75 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 238.42 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 253.90 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 267.41 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 279.16 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 289.38 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0032665; 0.0002718] | Pa×s | [205.55; 398.19] |
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 | -1.08636e+01 | |||
| Coefficient B | 1.05643e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 205.55 | |||
| Temperature range, max. | 398.19 | |||
| η | 0.0032665 | Pa×s | 205.55 | Calculated Property |
| η | 0.0020118 | Pa×s | 226.95 | Calculated Property |
| η | 0.0013470 | Pa×s | 248.36 | Calculated Property |
| η | 0.0009611 | Pa×s | 269.76 | Calculated Property |
| η | 0.0007207 | Pa×s | 291.17 | Calculated Property |
| η | 0.0005621 | Pa×s | 312.57 | Calculated Property |
| η | 0.0004527 | Pa×s | 333.98 | Calculated Property |
| η | 0.0003741 | Pa×s | 355.38 | Calculated Property |
| η | 0.0003160 | Pa×s | 376.78 | Calculated Property |
| η | 0.0002718 | Pa×s | 398.19 | Calculated Property |
Similar Compounds
Find more compounds similar to 5-Hexen-3-one.
Sources
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