- InChI
- InChI=1S/C4H8O/c1-4-2-3-5-4/h4H,2-3H2,1H3
- InChI Key
- FZIIBDOXPQOKBP-UHFFFAOYSA-N
- Formula
- C4H8O
- SMILES
- CC1CCO1
- Molecular Weight1
- 72.11
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.2549 | Relay (1.0) Calculated Property | |
| ΔfG° | -54.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -156.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 30.46 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.55 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.24 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.795 | Crippen Calculated Property | |
| McVol | 62.230 | ml/mol | McGowan Calculated Property |
| Pc | 4717.12 | kPa | Joback Calculated Property |
| Inp | [543.00; 578.00] |
|
|
| Inp | 572.00 | NIST | |
| Inp | 578.00 | NIST | |
| Inp | 543.00 | NIST | |
| Inp | 578.00 | NIST | |
| Inp | 573.00 | NIST | |
| Tboil | 318.89 | K | Relay (1.0) Calculated Property |
| Tc | 505.86 | K | Relay (1.0) Calculated Property |
| Tfus | 145.97 | K | Relay (1.0) Calculated Property |
| Vc | 0.234 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [79.36; 226.73] | 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 | -3.87900e+01 | |||
| Coefficient B | 5.22120e-01 | |||
| Coefficient C | -3.53700e-04 | |||
| Coefficient D | 9.71000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 79.36 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 105.96 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 129.28 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 149.63 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 167.33 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 182.68 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 195.99 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 207.56 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 217.71 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 226.73 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0015598; 0.0002599] | Pa×s | [175.83; 362.77] |
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 | -9.94085e+00 | |||
| Coefficient B | 6.11480e+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. | 175.83 | |||
| Temperature range, max. | 362.77 | |||
| η | 0.0015598 | Pa×s | 175.83 | Calculated Property |
| η | 0.0010802 | Pa×s | 196.60 | Calculated Property |
| η | 0.0008025 | Pa×s | 217.37 | Calculated Property |
| η | 0.0006279 | Pa×s | 238.14 | Calculated Property |
| η | 0.0005110 | Pa×s | 258.92 | Calculated Property |
| η | 0.0004288 | Pa×s | 279.69 | Calculated Property |
| η | 0.0003686 | Pa×s | 300.46 | Calculated Property |
| η | 0.0003232 | Pa×s | 321.23 | Calculated Property |
| η | 0.0002879 | Pa×s | 342.00 | Calculated Property |
| η | 0.0002599 | Pa×s | 362.77 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methyl-oxetane.
Sources
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