- InChI
- InChI=1S/C6H12O2/c1-3-6(7)5-8-4-2/h3-5H2,1-2H3
- InChI Key
- FRFMOVPIHHDDPP-UHFFFAOYSA-N
- Formula
- C6H12O2
- SMILES
- CCOCC(=O)CC
- Molecular Weight1
- 116.16
- CAS
- 76086-05-0
- 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).
- ΔfH°liquid : Liquid phase 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 | 0.4225 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -3636.10 ± 0.70 | kJ/mol | NIST |
| ΔfG° | -234.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -408.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°liquid | -440.00 ± 0.70 | kJ/mol | NIST |
| ΔfusH° | 14.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.002 | Crippen Calculated Property | |
| McVol | 102.840 | ml/mol | McGowan Calculated Property |
| Pc | 3272.78 | kPa | Joback Calculated Property |
| Tboil | 419.38 | K | Relay (1.0) Calculated Property |
| Tc | 597.61 | K | Relay (1.0) Calculated Property |
| Tfus | 250.14 | K | Relay (1.0) Calculated Property |
| Vc | 0.381 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [149.09; 336.39] | 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 | 3.02930e+01 | |||
| Coefficient B | 4.82640e-01 | |||
| Coefficient C | -1.72900e-04 | |||
| Coefficient D | -3.64000e-09 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 149.09 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 179.24 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 207.08 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 232.60 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 255.79 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 276.64 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 295.14 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 311.27 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 325.02 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 336.39 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0030279; 0.0002717] | Pa×s | [229.54; 413.59] |
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 | -1.12180e+01 | |||
| Coefficient B | 1.24368e+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. | 229.54 | |||
| Temperature range, max. | 413.59 | |||
| η | 0.0030279 | Pa×s | 229.54 | Calculated Property |
| η | 0.0019438 | Pa×s | 249.99 | Calculated Property |
| η | 0.0013344 | Pa×s | 270.44 | Calculated Property |
| η | 0.0009658 | Pa×s | 290.89 | Calculated Property |
| η | 0.0007293 | Pa×s | 311.34 | Calculated Property |
| η | 0.0005701 | Pa×s | 331.79 | Calculated Property |
| η | 0.0004586 | Pa×s | 352.24 | Calculated Property |
| η | 0.0003779 | Pa×s | 372.69 | Calculated Property |
| η | 0.0003177 | Pa×s | 393.14 | Calculated Property |
| η | 0.0002717 | Pa×s | 413.59 | Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl ethoxymethyl ketone.
Sources
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