- InChI
- InChI=1S/C5H10O2/c1-5(6)3-4-7-2/h3-4H2,1-2H3
- InChI Key
- DRWOJIIXBYNGGW-UHFFFAOYSA-N
- Formula
- C5H10O2
- SMILES
- COCCC(C)=O
- Molecular Weight1
- 102.13
- 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).
- 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 | 0.4054 | Relay (1.0) Calculated Property | |
| ΔfG° | -242.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -375.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.14 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.37 | eV | NIST |
| log10WS | 0.94 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.612 | Crippen Calculated Property | |
| McVol | 88.750 | ml/mol | McGowan Calculated Property |
| Pc | 3664.21 | kPa | Joback Calculated Property |
| Tboil | 413.53 | K | Relay (1.0) Calculated Property |
| Tc | 590.50 | K | Relay (1.0) Calculated Property |
| Tfus | 205.69 | K | Relay (1.0) Calculated Property |
| Vc | 0.322 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [127.88; 284.80] | 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 | 3.12020e+01 | |||
| Coefficient B | 3.87640e-01 | |||
| Coefficient C | -1.18500e-04 | |||
| Coefficient D | -1.55400e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 127.88 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 152.82 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 176.00 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 197.37 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 216.88 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 234.48 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 250.12 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 263.75 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 275.33 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 284.80 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0027914; 0.0002583] | Pa×s | [218.27; 398.27] |
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 | -1.11477e+01 | |||
| Coefficient B | 1.14952e+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. | 218.27 | |||
| Temperature range, max. | 398.27 | |||
| η | 0.0027914 | Pa×s | 218.27 | Calculated Property |
| η | 0.0017941 | Pa×s | 238.27 | Calculated Property |
| η | 0.0012348 | Pa×s | 258.27 | Calculated Property |
| η | 0.0008967 | Pa×s | 278.27 | Calculated Property |
| η | 0.0006798 | Pa×s | 298.27 | Calculated Property |
| η | 0.0005336 | Pa×s | 318.27 | Calculated Property |
| η | 0.0004310 | Pa×s | 338.27 | Calculated Property |
| η | 0.0003565 | Pa×s | 358.27 | Calculated Property |
| η | 0.0003009 | Pa×s | 378.27 | Calculated Property |
| η | 0.0002583 | Pa×s | 398.27 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-METHOXY-2-BUTANONE.
Sources
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