- InChI
- InChI=1S/C2H5O/c1-3-2/h1H2,2H3
- InChI Key
- AFGPRWUFPLEMTF-UHFFFAOYSA-N
- Formula
- C2H5O
- SMILES
- [CH2]OC
- Molecular Weight1
- 45.06
- CAS
- 16520-04-0
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- EA : Electron affinity (eV).
- 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).
- 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 | 0.2503 | Relay (1.0) Calculated Property | |
| PAff | 756.10 | kJ/mol | NIST |
| BasG | 723.60 | kJ/mol | NIST |
| EA | -0.02 ± 0.10 | eV | NIST |
| ΔfG° | -86.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -18.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 3.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 17.58 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [6.90; 6.94] | eV |
|
| IE | 6.90 | eV | NIST |
| IE | 6.94 | eV | NIST |
| logPoct/wat | 0.424 | Crippen Calculated Property | |
| McVol | 42.760 | ml/mol | McGowan Calculated Property |
| Pc | 5228.24 | kPa | Joback Calculated Property |
| Tboil | 267.42 | K | Relay (1.0) Calculated Property |
| Tc | 409.01 | K | Relay (1.0) Calculated Property |
| Tfus | 110.33 | K | Relay (1.0) Calculated Property |
| Vc | 0.153 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [57.80; 124.88] | 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 | 6.16100e+00 | |||
| Coefficient B | 2.33720e-01 | |||
| Coefficient C | -1.81400e-04 | |||
| Coefficient D | 6.64000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 57.80 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 69.08 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 78.92 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 87.52 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 95.09 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 101.84 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 107.99 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 113.74 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 119.30 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 124.88 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0001854; 0.0001077] | Pa×s | [150.90; 296.95] |
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 | -9.69798e+00 | |||
| Coefficient B | 1.66720e+02 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 150.90 | |||
| Temperature range, max. | 296.95 | |||
| η | 0.0001854 | Pa×s | 150.90 | Calculated Property |
| η | 0.0001665 | Pa×s | 167.13 | Calculated Property |
| η | 0.0001524 | Pa×s | 183.36 | Calculated Property |
| η | 0.0001416 | Pa×s | 199.58 | Calculated Property |
| η | 0.0001330 | Pa×s | 215.81 | Calculated Property |
| η | 0.0001260 | Pa×s | 232.04 | Calculated Property |
| η | 0.0001202 | Pa×s | 248.27 | Calculated Property |
| η | 0.0001153 | Pa×s | 264.50 | Calculated Property |
| η | 0.0001112 | Pa×s | 280.73 | Calculated Property |
| η | 0.0001077 | Pa×s | 296.95 | Calculated Property |
Similar Compounds
Find more compounds similar to Methyl radical, methoxy-.
Sources
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