- InChI
- InChI=1S/C3H5O/c1-3(2)4/h1H2,2H3
- InChI Key
- HNUKTDKISXPDPA-UHFFFAOYSA-N
- Formula
- C3H5O
- SMILES
- [CH2]C(C)=O
- Molecular Weight1
- 57.07
- 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 | 0.3500 | Relay (1.0) Calculated Property | |
| ΔfG° | -102.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -136.42 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 6.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 28.97 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.34 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.49 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.409 | Crippen Calculated Property | |
| McVol | 52.550 | ml/mol | McGowan Calculated Property |
| Pc | 5109.34 | kPa | Joback Calculated Property |
| Tboil | 340.87 | K | Relay (1.0) Calculated Property |
| Tc | 499.06 | K | Relay (1.0) Calculated Property |
| Tfus | 181.12 | K | Relay (1.0) Calculated Property |
| Vc | 0.196 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [64.53; 146.99] | 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 | -1.28890e+01 | |||
| Coefficient B | 3.63920e-01 | |||
| Coefficient C | -3.28100e-04 | |||
| Coefficient D | 1.24060e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 64.53 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 80.29 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 93.48 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 104.50 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 113.74 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 121.59 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 128.45 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 134.71 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 140.76 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 146.99 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0006124; 0.0002441] | Pa×s | [189.87; 347.48] |
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 | -9.42569e+00 | |||
| Coefficient B | 3.84980e+02 | |||
| 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. | 189.87 | |||
| Temperature range, max. | 347.48 | |||
| η | 0.0006124 | Pa×s | 189.87 | Calculated Property |
| η | 0.0005160 | Pa×s | 207.38 | Calculated Property |
| η | 0.0004466 | Pa×s | 224.90 | Calculated Property |
| η | 0.0003946 | Pa×s | 242.41 | Calculated Property |
| η | 0.0003546 | Pa×s | 259.92 | Calculated Property |
| η | 0.0003229 | Pa×s | 277.43 | Calculated Property |
| η | 0.0002974 | Pa×s | 294.95 | Calculated Property |
| η | 0.0002764 | Pa×s | 312.46 | Calculated Property |
| η | 0.0002589 | Pa×s | 329.97 | Calculated Property |
| η | 0.0002441 | Pa×s | 347.48 | Calculated Property |
Similar Compounds
Find more compounds similar to CH2COCH3.
Sources
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