- InChI
- InChI=1S/C5H8O/c1-2-4-6-5-3-1/h2,4H,1,3,5H2
- InChI Key
- BUDQDWGNQVEFAC-UHFFFAOYSA-N
- Formula
- C5H8O
- SMILES
- C1=COCCC1
- Molecular Weight1
- 84.12
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -115.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 8.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 34.92 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.39 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 1.310 | Crippen Calculated Property | |
| McVol | 72.020 | ml/mol | McGowan Calculated Property |
| Pc | 4869.76 | kPa | Joback Calculated Property |
| Tboil | 353.81 | K | Relay (1.0) Calculated Property |
| Tc | 565.34 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [82.05; 243.92] | 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 | -4.81000e+01 | |||
| Coefficient B | 5.68400e-01 | |||
| Coefficient C | -3.57980e-04 | |||
| Coefficient D | 8.16000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 82.05 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 111.80 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 138.00 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 160.91 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 180.81 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 197.93 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 212.55 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 224.91 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 235.28 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 243.92 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0102466; 0.0002430] | Pa×s | [185.06; 401.58] |
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 | -1.15208e+01 | |||
| Coefficient B | 1.28431e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 185.06 | |||
| Temperature range, max. | 401.58 | |||
| η | 0.0102466 | Pa×s | 185.06 | Calculated Property |
| η | 0.0046115 | Pa×s | 209.12 | Calculated Property |
| η | 0.0024471 | Pa×s | 233.17 | Calculated Property |
| η | 0.0014620 | Pa×s | 257.23 | Calculated Property |
| η | 0.0009539 | Pa×s | 281.29 | Calculated Property |
| η | 0.0006657 | Pa×s | 305.35 | Calculated Property |
| η | 0.0004896 | Pa×s | 329.40 | Calculated Property |
| η | 0.0003755 | Pa×s | 353.46 | Calculated Property |
| η | 0.0002979 | Pa×s | 377.52 | Calculated Property |
| η | 0.0002430 | Pa×s | 401.58 | Calculated Property |
Similar Compounds
Find more compounds similar to Pyran, 2,3-dihydro-.
Sources
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